A0A5K4EI03_SCHMA Loading...

Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial

Iron-sulfur protein (IP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).

AlphaFold DB , UniProt , Accession A0A5K4EI03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M95.9Very high98.2Very high106 Ų10633 Ų3352%0.52216%0.164SC..  0119.70-59.1-51-75.900109.8Q24 V25 D26M1-Q24 HydrophobicContact CB-CB 4.31Å; M1-Q24 HydrophobicContact CE-CB 3.75Å; M1-V25 CarbonylContact C-O 3.52Å; M1-V25 WeakPolarHBondContact CA-O 3.36Å; M1-D26 HydrophobicContact CE-CB 4.41Å; M1-D26 HydrophobicContact SD-CB 3.82Å
2K97.9Very high98.1Very high0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-90.5138.7170.1178.768.7179.8-164.60109.4F4 Q24 V25 L27 I79 D80 D82 K85 T87K2-F4 HydrophobicContact CB-CE2 4.17Å; K2-F4 HydrophobicContact CG-CD2 4.3Å; K2-F4 HydrophobicContact CG-CE2 3.69Å; K2-F4 HydrophobicContact CG-CZ 3.93Å; K2-Q24 CarbonylContact O-C 3.58Å; K2-Q24 WeakPolarHBondContact O-CA 3.32Å; K2-V25 PolarHBondContact N-O 3.32Å; K2-V25 PolarHBondContact O-N 3.17Å; K2-L27 HydrophobicContact CB-CD1 3.88Å; K2-L27 HydrophobicContact CB-CD2 3.65Å; K2-L27 HydrophobicContact CB-CG 3.73Å; K2-L27 HydrophobicContact CG-CD1 4.41Å; K2-L27 HydrophobicContact CG-CD2 4.25Å; K2-I79 HydrophobicContact CG-CG2 4.22Å; K2-D80 WeakPolarHBondContact CD-O 3.36Å; K2-D80 WeakPolarHBondContact CE-O 3.49Å; K2-D80 PolarHBondContact NZ-O 3.44Å; K2-D82 PolarHBondContact NZ-O 3.22Å; K2-K85 WeakPolarHBondContact CE-O 3.03Å; K2-K85 PolarHBondContact NZ-O 3.37Å; K2-T87 WeakPolarHBondContact CE-OG1 3.04Å
3T98.7Very high97.8Very high22 Ų2246.9 Ų46.914%0.13523%0.232CC..EExtended strand (participates in β ladder)trans-98.2129.9176.5-560000110.9N22 Y23 T86 T87T3-N22 HydrophobicContact CG2-CB 4.08Å; T3-Y23 CarbonylContact C-O 3.5Å; T3-Y23 WeakPolarHBondContact CA-O 3.46Å; T3-T86 HydrophobicContact CG2-CG2 3.88Å; T3-T86 WeakPolarHBondContact O-CA 3.33Å; T3-T87 PolarHBondContact O-N 3.08Å
4F98.9Very high97.3Very high0 Ų061.9 Ų61.90%028%0.284CS..EExtended strand (participates in β ladder)trans-111.9125.2169.6-65.7-90.4000109.3K2 I6 N22 Y23 V25 A37 I41 I79 T87 I89K2-F4 HydrophobicContact CB-CE2 4.17Å; K2-F4 HydrophobicContact CG-CD2 4.3Å; K2-F4 HydrophobicContact CG-CE2 3.69Å; K2-F4 HydrophobicContact CG-CZ 3.93Å; F4-I6 HydrophobicContact CB-CD1 4.21Å; F4-I6 HydrophobicContact CB-CG1 4.1Å; F4-N22 CarbonylContact O-C 3.57Å; F4-N22 VanDerWaalsContact O-CA 3.29Å; F4-N22 WeakPolarHBondContact O-CA 3.19Å; F4-Y23 PolarHBondContact N-O 2.87Å; F4-Y23 PolarHBondContact O-N 3.29Å; F4-V25 HydrophobicContact CD2-CB 4.28Å; F4-V25 HydrophobicContact CD2-CG2 3.88Å; F4-V25 HydrophobicContact CE2-CB 3.98Å; F4-V25 HydrophobicContact CE2-CG2 3.98Å; F4-A37 HydrophobicContact CD2-CB 4.4Å; F4-A37 HydrophobicContact CE1-CB 4.17Å; F4-A37 HydrophobicContact CE2-CB 3.72Å; F4-A37 HydrophobicContact CZ-CB 3.57Å; F4-I41 HydrophobicContact CB-CD1 4.38Å; F4-I41 HydrophobicContact CD2-CD1 4.42Å; F4-I79 HydrophobicContact CE1-CG2 4.5Å; F4-I79 HydrophobicContact CZ-CD1 4.06Å; F4-I79 HydrophobicContact CZ-CG1 4.02Å; F4-I79 HydrophobicContact CZ-CG2 3.82Å; F4-T87 CarbonylContact C-O 3.54Å; F4-T87 VanDerWaalsContact CA-O 3.31Å; F4-T87 WeakPolarHBondContact CA-O 3.29Å; F4-T87 HydrophobicContact CD1-CG2 3.85Å; F4-T87 HydrophobicContact CE1-CG2 3.95Å; F4-I89 HydrophobicContact CD1-CD1 3.91Å
5S98.8Very high96.9Very high13 Ų1362.5 Ų62.59%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-102.9109.9173.4-162.90000108.8M20 Q21 N22 T87 K88 I89S5-M20 VanDerWaalsContact C-CE 3.46Å; S5-M20 WeakPolarHBondContact O-CE 3.21Å; S5-Q21 WeakPolarHBondContact CA-O 3.4Å; S5-N22 WeakPolarHBondContact CB-OD1 3.18Å; S5-N22 PolarHBondContact OG-OD1 3.22Å; S5-T87 PolarHBondContact N-O 3.25Å; S5-K88 CarbonylContact O-C 3.54Å; S5-K88 VanDerWaalsContact O-CA 3.31Å; S5-K88 WeakPolarHBondContact O-CA 3.12Å; S5-I89 PolarHBondContact O-N 3.37Å
6I98.9Very high96.7Very high0 Ų063 Ų630%032%0.315CS..EExtended strand (participates in β ladder)trans-114.8133.4-167.5-51-179000109.7F4 R8 M20 Q21 Y23 L38 I41 L49 I89 L101F4-I6 HydrophobicContact CB-CD1 4.21Å; F4-I6 HydrophobicContact CB-CG1 4.1Å; I6-R8 PolarHBondContact O-N 3.37Å; I6-M20 WeakPolarHBondContact O-CA 3.44Å; I6-Q21 PolarHBondContact N-O 2.9Å; I6-Q21 PolarHBondContact O-N 2.7Å; I6-Y23 HydrophobicContact CB-CD2 4.43Å; I6-Y23 HydrophobicContact CB-CE2 4.2Å; I6-Y23 HydrophobicContact CD1-CD2 3.67Å; I6-Y23 HydrophobicContact CD1-CE2 3.94Å; I6-Y23 HydrophobicContact CG1-CD2 4.01Å; I6-Y23 HydrophobicContact CG1-CE2 4.25Å; I6-L38 HydrophobicContact CD1-CD2 3.69Å; I6-I41 HydrophobicContact CD1-CD1 3.85Å; I6-L49 HydrophobicContact CD1-CD2 4.08Å; I6-L49 HydrophobicContact CG2-CD1 3.98Å; I6-I89 HydrophobicContact CG1-CB 4.35Å; I6-I89 HydrophobicContact CG1-CD1 4.35Å; I6-I89 HydrophobicContact CG2-CB 4.37Å; I6-L101 HydrophobicContact CG2-CD1 3.9Å; I6-L101 HydrophobicContact CG2-CD2 4.04Å; I6-L101 HydrophobicContact CG2-CG 4.15Å
7Y98.9Very high96.7Very high39 Ų3968.9 Ų68.915%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-60129.2171.2178.2-80.1000111.1W9 P18 T19 I89 Y90 P91 V97 D100Y7-W9 HydrophobicContact CE1-CB 3.73Å; Y7-P18 HydrophobicContact CD2-CB 4.42Å; Y7-P18 HydrophobicContact CE1-CB 4.47Å; Y7-P18 HydrophobicContact CE2-CB 3.52Å; Y7-P18 HydrophobicContact CE2-CG 4.25Å; Y7-P18 WeakPolarHBondContact OH-CB 3.4Å; Y7-P18 VanDerWaalsContact OH-CG 3.24Å; Y7-P18 WeakPolarHBondContact OH-CG 3.27Å; Y7-T19 WeakPolarHBondContact CA-O 3.43Å; Y7-I89 PolarHBondContact N-O 3.35Å; Y7-Y90 AromaticContact CD2-CD1 4Å; Y7-Y90 HydrophobicContact CD2-CD1 4Å; Y7-Y90 HydrophobicContact CD2-CE1 4.49Å; Y7-Y90 HydrophobicContact CG-CD1 4.4Å; Y7-P91 HydrophobicContact CD1-CG 3.73Å; Y7-P91 HydrophobicContact CE1-CG 4.01Å; Y7-P91 HydrophobicContact CG-CG 4.1Å; Y7-V97 HydrophobicContact CE1-CG1 4Å; Y7-V97 HydrophobicContact CE1-CG2 4.3Å; Y7-D100 WeakPolarHBondContact CD1-O 3.43Å; Y7-D100 WeakPolarHBondContact CE1-O 3.39Å
8R98.7Very high96.8Very high22 Ų2268.6 Ų68.68%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-124.8136.3177.1-58.5-56.4-53.5-85.513.3110.6I6 P18 T19 Q21 Y23 D46 T48 D100I6-R8 PolarHBondContact O-N 3.37Å; R8-P18 WeakPolarHBondContact O-CA 3.47Å; R8-T19 PolarHBondContact N-O 2.76Å; R8-T19 PolarHBondContact O-N 3.09Å; R8-Q21 HydrophobicContact CG-CB 3.65Å; R8-Y23 PolarHBondContact NH1-OH 3.33Å; R8-D46 IonicContact CZ-OD2 3.34Å; R8-D46 IonicContact NH1-OD2 3.55Å; R8-D46 PolarHBondContact NH1-OD2 2.79Å; R8-D46 IonicContact NH2-OD2 3.81Å; R8-T48 PolarHBondContact NH2-O 3.29Å; R8-T48 PolarHBondContact NH2-OG1 2.89Å; R8-D100 WeakPolarHBondContact CA-OD1 3.42Å; R8-D100 IonicContact CZ-OD1 2.71Å; R8-D100 IonicContact CZ-OD2 2.72Å; R8-D100 VanDerWaalsContact NE-CG 3.34Å; R8-D100 IonicContact NE-OD1 3.55Å; R8-D100 PolarHBondContact NE-OD1 3.27Å; R8-D100 IonicContact NE-OD2 3.01Å; R8-D100 PolarHBondContact NE-OD2 3.34Å; R8-D100 IonicContact NH2-OD1 3.69Å; R8-D100 IonicContact NH2-OD2 3.21Å; R8-D100 PolarHBondContact NH2-OD2 3.17Å
9W98.5Very high96.9Very high68 Ų6868.9 Ų68.926%0.25835%0.348SS..  trans-158.6130.5168.3-176.768.4000110.5Y7 P11 E16 P18 V97 I98 D100Y7-W9 HydrophobicContact CE1-CB 3.73Å; W9-P11 HydrophobicContact CH2-CB 3.68Å; W9-P11 HydrophobicContact CZ2-CB 4.39Å; W9-P11 HydrophobicContact CZ3-CB 3.78Å; W9-P11 HydrophobicContact CZ3-CG 4.36Å; W9-E16 PolarHBondContact NE1-O 2.76Å; W9-E16 VanDerWaalsContact NE1-O 3.09Å; W9-P18 HydrophobicContact CB-CB 4.4Å; W9-P18 HydrophobicContact CB-CG 4.36Å; W9-P18 HydrophobicContact CG-CG 4.16Å; W9-V97 HydrophobicContact CE3-CG1 4.26Å; W9-V97 WeakPolarHBondContact CZ3-O 3.32Å; W9-I98 VanDerWaalsContact CZ3-O 3.31Å; W9-I98 WeakPolarHBondContact CZ3-O 3.31Å; W9-D100 PolarHBondContact N-OD1 3.47Å; W9-D100 PolarHBondContact O-N 2.57Å
10N97.9Very high97Very high35 Ų3568.9 Ų68.919%0.18735%0.348CS..  trans-115.2113.2-179.8-172.83.9000111.3D12 K13 E16N10-D12 PolarHBondContact O-N 2.9Å; N10-D12 PolarHBondContact OD1-N 3.37Å; N10-D12 VanDerWaalsContact OD1-N 3.17Å; N10-D12 PolarHBondContact OD1-OD2 2.93Å; N10-K13 HydrophobicContact CB-CB 4.43Å; N10-K13 HydrophobicContact CB-CD 4.2Å; N10-K13 HydrophobicContact CB-CG 4.42Å; N10-K13 PolarHBondContact O-N 3.21Å; N10-E16 WeakPolarHBondContact CB-OE2 3.5Å
11P97Very high97Very high58 Ų5869 Ų6938%0.37735%0.347SS..THydrogen-bonded Turntrans-63.2-24.9179.128.3-37.8000113.3W9 K13 I98 K99W9-P11 HydrophobicContact CH2-CB 3.68Å; W9-P11 HydrophobicContact CZ2-CB 4.39Å; W9-P11 HydrophobicContact CZ3-CB 3.78Å; W9-P11 HydrophobicContact CZ3-CG 4.36Å; P11-K13 PolarHBondContact O-N 2.91Å; P11-I98 WeakPolarHBondContact CD-O 3.47Å; P11-I98 VanDerWaalsContact CG-O 3.32Å; P11-I98 WeakPolarHBondContact CG-O 3.22Å; P11-K99 HydrophobicContact CG-CB 4.44Å
12D97Very high97.2Very high132 Ų13268.9 Ų68.971%0.70635%0.348SS*.THydrogen-bonded Turntrans-74.6-15.9-177.6-56.3-41.6000112.4N10N10-D12 PolarHBondContact O-N 2.9Å; N10-D12 PolarHBondContact OD1-N 3.37Å; N10-D12 VanDerWaalsContact OD1-N 3.17Å; N10-D12 PolarHBondContact OD1-OD2 2.93Å
13K94.8Very high97.2Very high115 Ų11569.3 Ų69.350%0.535%0.35SS..SBendtrans-99.692.3178.4-74.1176.6168.8-175.30110.1N10 P11 G15 E16N10-K13 HydrophobicContact CB-CB 4.43Å; N10-K13 HydrophobicContact CB-CD 4.2Å; N10-K13 HydrophobicContact CB-CG 4.42Å; N10-K13 PolarHBondContact O-N 3.21Å; P11-K13 PolarHBondContact O-N 2.91Å; K13-G15 PolarHBondContact O-N 2.73Å; K13-E16 HydrophobicContact CB-CB 3.9Å; K13-E16 WeakPolarHBondContact CB-OE2 3.33Å; K13-E16 VanDerWaalsContact CD-CD 3.49Å; K13-E16 WeakPolarHBondContact CD-OE1 3.17Å; K13-E16 WeakPolarHBondContact CD-OE2 3.39Å; K13-E16 IonicContact NZ-OE1 3.35Å; K13-E16 PolarHBondContact NZ-OE1 3.24Å; K13-E16 VanDerWaalsContact O-CB 3.29Å; K13-E16 WeakPolarHBondContact O-CB 3.34Å; K13-E16 PolarHBondContact O-N 2.71Å; K13-E16 VanDerWaalsContact O-N 3.08Å
14R89.9Confident97.2Very high257 Ų25773.3 Ų73.397%0.9737%0.367SS*.THydrogen-bonded Turntrans-53.8125.5-177-169.2176.8-178.8179.10.9111.9E16R14-E16 VanDerWaalsContact C-N 3.28Å; R14-E16 PolarHBondContact O-N 3.17Å
15G91.7Very high97.2Very high70 Ų7073.3 Ų73.372%0.72237%0.367SS*.THydrogen-bonded Turntrans83.2-5.9176.900000115K13 K17K13-G15 PolarHBondContact O-N 2.73Å; G15-K17 PolarHBondContact O-N 2.99Å
16E93.4Very high97.2Very high71 Ų7175.6 Ų75.633%0.33238%0.378SS..PPolyproline II helixtrans-63.6129.2176-166173.8-133.400110.1W9 N10 K13 R14W9-E16 PolarHBondContact NE1-O 2.76Å; W9-E16 VanDerWaalsContact NE1-O 3.09Å; N10-E16 WeakPolarHBondContact CB-OE2 3.5Å; K13-E16 HydrophobicContact CB-CB 3.9Å; K13-E16 WeakPolarHBondContact CB-OE2 3.33Å; K13-E16 VanDerWaalsContact CD-CD 3.49Å; K13-E16 WeakPolarHBondContact CD-OE1 3.17Å; K13-E16 WeakPolarHBondContact CD-OE2 3.39Å; K13-E16 IonicContact NZ-OE1 3.35Å; K13-E16 PolarHBondContact NZ-OE1 3.24Å; K13-E16 VanDerWaalsContact O-CB 3.29Å; K13-E16 WeakPolarHBondContact O-CB 3.34Å; K13-E16 PolarHBondContact O-N 2.71Å; K13-E16 VanDerWaalsContact O-N 3.08Å; R14-E16 VanDerWaalsContact C-N 3.28Å; R14-E16 PolarHBondContact O-N 3.17Å
17K97.1Very high97.1Very high164 Ų16477.9 Ų77.971%0.71339%0.39SS*.PPolyproline II helixtrans-86.9149.6175.2-62.5-62.2-175.8-179.20109.3G15G15-K17 PolarHBondContact O-N 2.99Å
18P98.1Very high97Very high62 Ų6283.4 Ų83.440%0.40342%0.422SS..PPolyproline II helixtrans-56.1141.1171.1-25.734.9000112.3Y7 R8 W9Y7-P18 HydrophobicContact CD2-CB 4.42Å; Y7-P18 HydrophobicContact CE1-CB 4.47Å; Y7-P18 HydrophobicContact CE2-CB 3.52Å; Y7-P18 HydrophobicContact CE2-CG 4.25Å; Y7-P18 WeakPolarHBondContact OH-CB 3.4Å; Y7-P18 VanDerWaalsContact OH-CG 3.24Å; Y7-P18 WeakPolarHBondContact OH-CG 3.27Å; R8-P18 WeakPolarHBondContact O-CA 3.47Å; W9-P18 HydrophobicContact CB-CB 4.4Å; W9-P18 HydrophobicContact CB-CG 4.36Å; W9-P18 HydrophobicContact CG-CG 4.16Å
19T98.3Very high97Very high76 Ų7687.5 Ų87.547%0.46645%0.446SS..EExtended strand (participates in β ladder)trans-132.5167178.758.80000111.1Y7 R8Y7-T19 WeakPolarHBondContact CA-O 3.43Å; R8-T19 PolarHBondContact N-O 2.76Å; R8-T19 PolarHBondContact O-N 3.09Å
20M98.7Very high97Very high68 Ų6885.5 Ų85.534%0.33544%0.442SS..EExtended strand (participates in β ladder)trans-104.7128167.1-63.4-58.3-67.400108.3S5 I6 Y90S5-M20 VanDerWaalsContact C-CE 3.46Å; S5-M20 WeakPolarHBondContact O-CE 3.21Å; I6-M20 WeakPolarHBondContact O-CA 3.44Å; M20-Y90 HydrophobicContact CE-CD1 4.46Å; M20-Y90 HydrophobicContact CE-CE1 3.74Å; M20-Y90 HydrophobicContact CE-CE2 4.22Å; M20-Y90 HydrophobicContact SD-CD1 4.08Å; M20-Y90 HydrophobicContact SD-CE1 3.29Å; M20-Y90 WeakPolarHBondContact SD-CE1 3.44Å
21Q98.7Very high97Very high72 Ų7285.3 Ų85.334%0.33645%0.448SS..EExtended strand (participates in β ladder)trans-114.5131.6176-175.2172.6-14.400110S5 I6 R8 Y23S5-Q21 WeakPolarHBondContact CA-O 3.4Å; I6-Q21 PolarHBondContact N-O 2.9Å; I6-Q21 PolarHBondContact O-N 2.7Å; R8-Q21 HydrophobicContact CG-CB 3.65Å; Q21-Y23 HydrophobicContact CB-CE2 4.02Å; Q21-Y23 VanDerWaalsContact CD-CZ 3.5Å; Q21-Y23 HydrophobicContact CG-CE1 4.38Å; Q21-Y23 HydrophobicContact CG-CE2 3.83Å; Q21-Y23 PolarHBondContact NE2-OH 2.87Å; Q21-Y23 VanDerWaalsContact NE2-OH 3.17Å; Q21-Y23 PolarHBondContact OE1-OH 3.36Å
22N98.7Very high97Very high103 Ų10386.8 Ų86.855%0.55146%0.458SS*.EExtended strand (participates in β ladder)trans-91.2135.9179-66.9-13.8000110.5T3 F4 S5T3-N22 HydrophobicContact CG2-CB 4.08Å; F4-N22 CarbonylContact O-C 3.57Å; F4-N22 VanDerWaalsContact O-CA 3.29Å; F4-N22 WeakPolarHBondContact O-CA 3.19Å; S5-N22 WeakPolarHBondContact CB-OD1 3.18Å; S5-N22 PolarHBondContact OG-OD1 3.22Å
23Y98.8Very high97.1Very high9 Ų982.6 Ų82.64%0.03544%0.435CS..EExtended strand (participates in β ladder)trans-125.9142.6173.1-60.4-86.8000109.4T3 F4 I6 R8 Q21 I41 D46T3-Y23 CarbonylContact C-O 3.5Å; T3-Y23 WeakPolarHBondContact CA-O 3.46Å; F4-Y23 PolarHBondContact N-O 2.87Å; F4-Y23 PolarHBondContact O-N 3.29Å; I6-Y23 HydrophobicContact CB-CD2 4.43Å; I6-Y23 HydrophobicContact CB-CE2 4.2Å; I6-Y23 HydrophobicContact CD1-CD2 3.67Å; I6-Y23 HydrophobicContact CD1-CE2 3.94Å; I6-Y23 HydrophobicContact CG1-CD2 4.01Å; I6-Y23 HydrophobicContact CG1-CE2 4.25Å; R8-Y23 PolarHBondContact NH1-OH 3.33Å; Q21-Y23 HydrophobicContact CB-CE2 4.02Å; Q21-Y23 VanDerWaalsContact CD-CZ 3.5Å; Q21-Y23 HydrophobicContact CG-CE1 4.38Å; Q21-Y23 HydrophobicContact CG-CE2 3.83Å; Q21-Y23 PolarHBondContact NE2-OH 2.87Å; Q21-Y23 VanDerWaalsContact NE2-OH 3.17Å; Q21-Y23 PolarHBondContact OE1-OH 3.36Å; Y23-I41 HydrophobicContact CD1-CG2 3.4Å; Y23-I41 VanDerWaalsContact CD1-CG2 3.4Å; Y23-I41 HydrophobicContact CD2-CD1 4.28Å; Y23-I41 HydrophobicContact CD2-CG2 4.14Å; Y23-I41 HydrophobicContact CE1-CG2 3.58Å; Y23-I41 HydrophobicContact CE2-CG2 4.29Å; Y23-I41 HydrophobicContact CG-CD1 3.99Å; Y23-I41 HydrophobicContact CG-CG1 4.22Å; Y23-I41 HydrophobicContact CG-CG2 3.67Å; Y23-D46 HydrophobicContact CE1-CB 3.68Å; Y23-D46 PolarHBondContact OH-OD2 2.87Å
24Q98.4Very high97.3Very high105 Ų10577.2 Ų77.249%0.49141%0.411SS..EExtended strand (participates in β ladder)trans-107.2128.2174.2-68.7-157.71.100109.9M1 K2 Q45M1-Q24 HydrophobicContact CB-CB 4.31Å; M1-Q24 HydrophobicContact CE-CB 3.75Å; K2-Q24 CarbonylContact O-C 3.58Å; K2-Q24 WeakPolarHBondContact O-CA 3.32Å; Q24-Q45 PolarHBondContact O-NE2 3.49Å; Q24-Q45 PolarHBondContact O-OE1 2.79Å
25V98.5Very high97.7Very high1 Ų165.1 Ų65.11%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-120.4133.7179.7178.90000109M1 K2 F4 L27 C30 K40 I41M1-V25 CarbonylContact C-O 3.52Å; M1-V25 WeakPolarHBondContact CA-O 3.36Å; K2-V25 PolarHBondContact N-O 3.32Å; K2-V25 PolarHBondContact O-N 3.17Å; F4-V25 HydrophobicContact CD2-CB 4.28Å; F4-V25 HydrophobicContact CD2-CG2 3.88Å; F4-V25 HydrophobicContact CE2-CB 3.98Å; F4-V25 HydrophobicContact CE2-CG2 3.98Å; V25-L27 PolarHBondContact O-N 3.03Å; V25-C30 HydrophobicContact CG1-CB 3.84Å; V25-K40 HydrophobicContact CG1-CD 3.99Å; V25-I41 HydrophobicContact CG2-CD1 3.82Å; V25-I41 HydrophobicContact CG2-CG1 3.6Å
26D98.2Very high98.1Very high60 Ų6064.4 Ų64.432%0.32135%0.346SS..  trans-77.6117.9167.9-170.6-0.9000109.2M1 N28 D29 C30M1-D26 HydrophobicContact CE-CB 4.41Å; M1-D26 HydrophobicContact SD-CB 3.82Å; D26-N28 VanDerWaalsContact C-N 3.25Å; D26-N28 PolarHBondContact O-N 2.84Å; D26-N28 PolarHBondContact OD1-N 2.94Å; D26-N28 PolarHBondContact OD1-ND2 2.82Å; D26-D29 CarbonylContact O-C 3.53Å; D26-D29 PolarHBondContact O-N 2.88Å; D26-C30 VanDerWaalsContact O-CB 3.31Å; D26-C30 WeakPolarHBondContact O-CB 3.24Å; D26-C30 PolarHBondContact O-N 3.41Å
27L97.8Very high98.3Very high48 Ų4861.1 Ų61.125%0.25133%0.33SS..G310 helixtrans-73.7-18.9-179.3-61-172000112.4K2 V25 D29 I79K2-L27 HydrophobicContact CB-CD1 3.88Å; K2-L27 HydrophobicContact CB-CD2 3.65Å; K2-L27 HydrophobicContact CB-CG 3.73Å; K2-L27 HydrophobicContact CG-CD1 4.41Å; K2-L27 HydrophobicContact CG-CD2 4.25Å; V25-L27 PolarHBondContact O-N 3.03Å; L27-D29 PolarHBondContact O-N 3.1Å; L27-I79 HydrophobicContact CD1-CG2 4.22Å; L27-I79 HydrophobicContact CD2-CD1 4.19Å; L27-I79 HydrophobicContact CD2-CG2 3.86Å
28N97.3Very high98.4Very high155 Ų15553.3 Ų53.383%0.82930%0.297SS*.G310 helixtrans-72.7-20.2175.1-61.3-49.5000112.6D26D26-N28 VanDerWaalsContact C-N 3.25Å; D26-N28 PolarHBondContact O-N 2.84Å; D26-N28 PolarHBondContact OD1-N 2.94Å; D26-N28 PolarHBondContact OD1-ND2 2.82Å
29D97.8Very high98.5Very high108 Ų10853.1 Ų53.158%0.57829%0.291SS*.G310 helixtrans-121.734.8180-174.641.9000111D26 L27 K40D26-D29 CarbonylContact O-C 3.53Å; D26-D29 PolarHBondContact O-N 2.88Å; L27-D29 PolarHBondContact O-N 3.1Å; D29-K40 VanDerWaalsContact O-CD 3.31Å; D29-K40 WeakPolarHBondContact O-CD 3.47Å; D29-K40 WeakPolarHBondContact O-CE 3.36Å; D29-K40 PolarHBondContact O-NZ 3.07Å; D29-K40 IonicContact OD2-NZ 2.73Å; D29-K40 PolarHBondContact OD2-NZ 3.35Å
30C98.4Very high98.5Very high27 Ų2750.5 Ų50.518%0.18227%0.273CS..SBendtrans-139.6146.3178.5-174.50000110.1V25 D26 K40V25-C30 HydrophobicContact CG1-CB 3.84Å; D26-C30 VanDerWaalsContact O-CB 3.31Å; D26-C30 WeakPolarHBondContact O-CB 3.24Å; D26-C30 PolarHBondContact O-N 3.41Å; C30-K40 HydrophobicContact CB-CD 4.03Å
31G98Very high98.5Very high30 Ų3047.2 Ų47.231%0.30926%0.257SS..  trans-63.1163.1168.700000112M33 D36 I79G31-M33 VanDerWaalsContact C-N 3.31Å; G31-M33 PolarHBondContact O-N 3.06Å; G31-D36 WeakPolarHBondContact CA-OD2 3.29Å; G31-I79 WeakPolarHBondContact O-CD1 3.41Å
32P98.3Very high98.5Very high89 Ų8946.9 Ų46.958%0.57826%0.255SS*.SBendtrans-74.7-16.4-170.129.9-35.3000114.3D36 I79P32-D36 WeakPolarHBondContact CD-OD2 3.29Å; P32-I79 WeakPolarHBondContact O-CG1 3.37Å; P32-I79 PolarHBondContact O-N 2.9Å
33M98.7Very high98.5Very high45 Ų4547.8 Ų47.822%0.22226%0.26CS..BIsolated β-bridgetrans-98.4151.6-171.9-57.1-64171.300111.9G31 L35 D36 A37 C75 W77 E78 I79G31-M33 VanDerWaalsContact C-N 3.31Å; G31-M33 PolarHBondContact O-N 3.06Å; M33-L35 PolarHBondContact O-N 2.84Å; M33-L35 VanDerWaalsContact O-N 3.15Å; M33-D36 WeakPolarHBondContact CB-OD2 3.13Å; M33-D36 PolarHBondContact N-OD2 2.84Å; M33-D36 WeakPolarHBondContact O-CA 3.47Å; M33-D36 VanDerWaalsContact O-CB 3.28Å; M33-D36 WeakPolarHBondContact O-CB 3.5Å; M33-D36 PolarHBondContact O-N 2.92Å; M33-A37 PolarHBondContact O-N 2.78Å; M33-C75 VanDerWaalsContact CG-O 3.31Å; M33-C75 WeakPolarHBondContact CG-O 3.47Å; M33-W77 WeakPolarHBondContact CA-O 3.5Å; M33-E78 HydrophobicContact CE-CG 4.17Å; M33-E78 HydrophobicContact SD-CG 4.02Å; M33-I79 WeakPolarHBondContact O-CD1 3.15Å
34V98.8Very high98.5Very high1 Ų153.1 Ų53.11%0.00629%0.285CS..Hα-helixtrans-56.8-33.6176.9170.30000112D36 A37 L38 I67 A74 W77 I79 I89V34-D36 VanDerWaalsContact C-N 3.29Å; V34-D36 PolarHBondContact O-N 2.85Å; V34-A37 PolarHBondContact O-N 3.39Å; V34-L38 HydrophobicContact CG1-CD1 4.34Å; V34-L38 HydrophobicContact CG1-CG 4.39Å; V34-L38 WeakPolarHBondContact O-CG 3.19Å; V34-L38 PolarHBondContact O-N 3.22Å; V34-I67 HydrophobicContact CB-CD1 4.19Å; V34-I67 HydrophobicContact CG1-CD1 3.95Å; V34-I67 HydrophobicContact CG1-CG1 4.49Å; V34-I67 HydrophobicContact CG2-CD1 4.43Å; V34-I67 HydrophobicContact CG2-CG2 4.19Å; V34-A74 HydrophobicContact CB-CB 4.4Å; V34-A74 HydrophobicContact CG1-CB 4.21Å; V34-A74 PolarHBondContact N-O 3.15Å; V34-W77 HydrophobicContact CG2-CB 4.48Å; V34-W77 HydrophobicContact CG2-CG 4.46Å; V34-W77 WeakPolarHBondContact CG2-O 3.46Å; V34-W77 PolarHBondContact N-O 3.49Å; V34-I79 HydrophobicContact CG2-CG1 4.09Å; V34-I89 HydrophobicContact CG1-CD1 3.6Å
35L98.9Very high98.5Very high4 Ų452.2 Ų52.22%0.02128%0.281CS..Hα-helixtrans-63-34.9174.2-177.361.9000112.6M33 A37 L38 I39 F51 R53 R56 A74 C75M33-L35 PolarHBondContact O-N 2.84Å; M33-L35 VanDerWaalsContact O-N 3.15Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-L38 PolarHBondContact O-N 3.44Å; L35-I39 HydrophobicContact CD1-CD1 4.15Å; L35-I39 HydrophobicContact CD1-CG1 4.21Å; L35-I39 HydrophobicContact CD2-CD1 4.41Å; L35-I39 HydrophobicContact CG-CD1 3.88Å; L35-I39 HydrophobicContact CG-CG1 4.37Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 2.89Å; L35-F51 HydrophobicContact CD1-CD2 4.17Å; L35-F51 HydrophobicContact CD1-CE2 3.8Å; L35-R53 HydrophobicContact CD1-CB 3.82Å; L35-R53 HydrophobicContact CD1-CG 4.38Å; L35-R53 HydrophobicContact CD2-CB 4.1Å; L35-R56 HydrophobicContact CD2-CB 4.46Å; L35-A74 HydrophobicContact CB-CB 3.97Å; L35-A74 PolarHBondContact N-O 2.85Å; L35-C75 HydrophobicContact CB-CB 4.19Å; L35-C75 HydrophobicContact CD2-CB 3.61Å
36D98.8Very high98.5Very high55 Ų5553.1 Ų53.129%0.29429%0.286SS..Hα-helixtrans-63.8-44.7177.3-56.9-42.2000109.8G31 P32 M33 V34 L38 I39 K40G31-D36 WeakPolarHBondContact CA-OD2 3.29Å; P32-D36 WeakPolarHBondContact CD-OD2 3.29Å; M33-D36 WeakPolarHBondContact CB-OD2 3.13Å; M33-D36 PolarHBondContact N-OD2 2.84Å; M33-D36 WeakPolarHBondContact O-CA 3.47Å; M33-D36 VanDerWaalsContact O-CB 3.28Å; M33-D36 WeakPolarHBondContact O-CB 3.5Å; M33-D36 PolarHBondContact O-N 2.92Å; V34-D36 VanDerWaalsContact C-N 3.29Å; V34-D36 PolarHBondContact O-N 2.85Å; D36-L38 PolarHBondContact O-N 2.92Å; D36-I39 PolarHBondContact O-N 3.46Å; D36-K40 WeakPolarHBondContact O-CB 3.41Å; D36-K40 PolarHBondContact O-N 3.3Å
37A98.8Very high98.5Very high1 Ų154.8 Ų54.81%0.00830%0.299CS..Hα-helixtrans-61.5-43.4174.300000112.3F4 M33 V34 L35 I39 K40 I41 I79F4-A37 HydrophobicContact CD2-CB 4.4Å; F4-A37 HydrophobicContact CE1-CB 4.17Å; F4-A37 HydrophobicContact CE2-CB 3.72Å; F4-A37 HydrophobicContact CZ-CB 3.57Å; M33-A37 PolarHBondContact O-N 2.78Å; V34-A37 PolarHBondContact O-N 3.39Å; L35-A37 VanDerWaalsContact C-N 3.34Å; A37-I39 PolarHBondContact O-N 2.94Å; A37-K40 PolarHBondContact O-N 2.88Å; A37-I41 WeakPolarHBondContact O-CB 3.36Å; A37-I41 WeakPolarHBondContact O-CD1 3.11Å; A37-I41 VanDerWaalsContact O-CG1 3.23Å; A37-I41 WeakPolarHBondContact O-CG1 3.36Å; A37-I41 PolarHBondContact O-N 3.22Å; A37-I79 HydrophobicContact CB-CD1 3.86Å
38L98.9Very high98.6Very high1 Ų156.1 Ų56.11%0.00531%0.31CS..Hα-helixtrans-61.5-42.7177.1-71.4175.6000112.3I6 V34 L35 D36 K42 L49 F51 M65 A74 I89 L101I6-L38 HydrophobicContact CD1-CD2 3.69Å; V34-L38 HydrophobicContact CG1-CD1 4.34Å; V34-L38 HydrophobicContact CG1-CG 4.39Å; V34-L38 WeakPolarHBondContact O-CG 3.19Å; V34-L38 PolarHBondContact O-N 3.22Å; L35-L38 PolarHBondContact O-N 3.44Å; D36-L38 PolarHBondContact O-N 2.92Å; L38-K42 WeakPolarHBondContact O-CB 3.03Å; L38-K42 PolarHBondContact O-N 2.88Å; L38-L49 HydrophobicContact CD2-CD2 4.23Å; L38-F51 HydrophobicContact CB-CD1 4.34Å; L38-F51 HydrophobicContact CB-CE1 3.84Å; L38-F51 HydrophobicContact CB-CE2 4.13Å; L38-F51 HydrophobicContact CB-CZ 3.73Å; L38-F51 WeakPolarHBondContact O-CE1 3.37Å; L38-F51 WeakPolarHBondContact O-CZ 3.31Å; L38-M65 HydrophobicContact CD1-CE 3.74Å; L38-M65 HydrophobicContact CD1-SD 3.72Å; L38-A74 HydrophobicContact CD1-CB 4.19Å; L38-I89 HydrophobicContact CD2-CD1 3.94Å; L38-I89 HydrophobicContact CG-CD1 4.42Å; L38-L101 HydrophobicContact CD1-CD1 4.44Å; L38-L101 HydrophobicContact CD2-CD1 4.21Å
39I98.9Very high98.7Very high57 Ų5748.8 Ų48.829%0.29227%0.27SS..Hα-helixtrans-66.1-44.7176.7-69.6170.1000110.3L35 D36 A37 K42 N43 F51L35-I39 HydrophobicContact CD1-CD1 4.15Å; L35-I39 HydrophobicContact CD1-CG1 4.21Å; L35-I39 HydrophobicContact CD2-CD1 4.41Å; L35-I39 HydrophobicContact CG-CD1 3.88Å; L35-I39 HydrophobicContact CG-CG1 4.37Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 2.89Å; D36-I39 PolarHBondContact O-N 3.46Å; A37-I39 PolarHBondContact O-N 2.94Å; I39-K42 PolarHBondContact O-N 2.86Å; I39-N43 WeakPolarHBondContact CG2-ND2 3.09Å; I39-N43 WeakPolarHBondContact O-CB 3.19Å; I39-N43 VanDerWaalsContact O-CG 3.26Å; I39-N43 PolarHBondContact O-N 2.7Å; I39-F51 HydrophobicContact CG1-CE2 4.09Å; I39-F51 HydrophobicContact CG1-CZ 4.04Å
40K98.8Very high98.7Very high21 Ų2145.1 Ų45.19%0.09125%0.252CS..Hα-helixtrans-59.5-49177.8-170.9172.5178.775.30111.5V25 D29 C30 D36 A37 K42 N43 E44V25-K40 HydrophobicContact CG1-CD 3.99Å; D29-K40 VanDerWaalsContact O-CD 3.31Å; D29-K40 WeakPolarHBondContact O-CD 3.47Å; D29-K40 WeakPolarHBondContact O-CE 3.36Å; D29-K40 PolarHBondContact O-NZ 3.07Å; D29-K40 IonicContact OD2-NZ 2.73Å; D29-K40 PolarHBondContact OD2-NZ 3.35Å; C30-K40 HydrophobicContact CB-CD 4.03Å; D36-K40 WeakPolarHBondContact O-CB 3.41Å; D36-K40 PolarHBondContact O-N 3.3Å; A37-K40 PolarHBondContact O-N 2.88Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.32Å; K40-N43 PolarHBondContact O-N 2.8Å; K40-E44 WeakPolarHBondContact CE-OE2 3.16Å; K40-E44 HydrophobicContact CG-CG 4.39Å; K40-E44 WeakPolarHBondContact CG-OE2 3.5Å; K40-E44 VanDerWaalsContact NZ-CD 3.26Å; K40-E44 IonicContact NZ-OE1 3.6Å; K40-E44 PolarHBondContact NZ-OE1 3.45Å; K40-E44 IonicContact NZ-OE2 2.73Å; K40-E44 PolarHBondContact NZ-OE2 3.18Å; K40-E44 WeakPolarHBondContact O-CB 3.46Å; K40-E44 PolarHBondContact O-N 2.77Å
41I98.9Very high98.7Very high0 Ų044.8 Ų44.80%025%0.248CC..Hα-helixtrans-54.8-48.3174.9-70.2163.2000110.5F4 I6 Y23 V25 A37 N43 Q45 D46 L49F4-I41 HydrophobicContact CB-CD1 4.38Å; F4-I41 HydrophobicContact CD2-CD1 4.42Å; I6-I41 HydrophobicContact CD1-CD1 3.85Å; Y23-I41 HydrophobicContact CD1-CG2 3.4Å; Y23-I41 VanDerWaalsContact CD1-CG2 3.4Å; Y23-I41 HydrophobicContact CD2-CD1 4.28Å; Y23-I41 HydrophobicContact CD2-CG2 4.14Å; Y23-I41 HydrophobicContact CE1-CG2 3.58Å; Y23-I41 HydrophobicContact CE2-CG2 4.29Å; Y23-I41 HydrophobicContact CG-CD1 3.99Å; Y23-I41 HydrophobicContact CG-CG1 4.22Å; Y23-I41 HydrophobicContact CG-CG2 3.67Å; V25-I41 HydrophobicContact CG2-CD1 3.82Å; V25-I41 HydrophobicContact CG2-CG1 3.6Å; A37-I41 WeakPolarHBondContact O-CB 3.36Å; A37-I41 WeakPolarHBondContact O-CD1 3.11Å; A37-I41 VanDerWaalsContact O-CG1 3.23Å; A37-I41 WeakPolarHBondContact O-CG1 3.36Å; A37-I41 PolarHBondContact O-N 3.22Å; I41-N43 PolarHBondContact O-N 2.78Å; I41-Q45 WeakPolarHBondContact O-CA 3.35Å; I41-Q45 WeakPolarHBondContact O-CB 3.47Å; I41-Q45 PolarHBondContact O-N 2.81Å; I41-D46 PolarHBondContact O-N 2.88Å; I41-L49 HydrophobicContact CB-CD2 4.14Å; I41-L49 HydrophobicContact CG2-CD2 3.6Å
42K98.9Very high98.8Very high65 Ų6548 Ų4828%0.28325%0.25SS..Hα-helixtrans-63.1-42.1-179.3-173.4179.317861.80112.6L38 I39 K40 D46 P47 L49 F51L38-K42 WeakPolarHBondContact O-CB 3.03Å; L38-K42 PolarHBondContact O-N 2.88Å; I39-K42 PolarHBondContact O-N 2.86Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.32Å; K42-D46 WeakPolarHBondContact CA-O 3.23Å; K42-D46 CarbonylContact O-C 3.46Å; K42-P47 PolarHBondContact NZ-O 2.79Å; K42-P47 WeakPolarHBondContact O-CA 3.46Å; K42-L49 WeakPolarHBondContact CD-O 3.33Å; K42-L49 PolarHBondContact NZ-O 2.9Å; K42-F51 HydrophobicContact CB-CE1 4.18Å; K42-F51 HydrophobicContact CB-CZ 4.44Å; K42-F51 HydrophobicContact CD-CE1 4.13Å; K42-F51 HydrophobicContact CD-CZ 4.3Å
43N98.8Very high98.8Very high121 Ų12150.4 Ų50.465%0.64725%0.248SC*.Hα-helixtrans-77.3-33.7-174.7-70.2-8.9000112.8I39 K40 I41I39-N43 WeakPolarHBondContact CG2-ND2 3.09Å; I39-N43 WeakPolarHBondContact O-CB 3.19Å; I39-N43 VanDerWaalsContact O-CG 3.26Å; I39-N43 PolarHBondContact O-N 2.7Å; K40-N43 PolarHBondContact O-N 2.8Å; I41-N43 PolarHBondContact O-N 2.78Å
44E98.7Very high98.8Very high122 Ų12252.3 Ų52.357%0.5727%0.266SS*.Hα-helixtrans-115-20.1-166.2-60.5175.3-165.100114K40K40-E44 WeakPolarHBondContact CE-OE2 3.16Å; K40-E44 HydrophobicContact CG-CG 4.39Å; K40-E44 WeakPolarHBondContact CG-OE2 3.5Å; K40-E44 VanDerWaalsContact NZ-CD 3.26Å; K40-E44 IonicContact NZ-OE1 3.6Å; K40-E44 PolarHBondContact NZ-OE1 3.45Å; K40-E44 IonicContact NZ-OE2 2.73Å; K40-E44 PolarHBondContact NZ-OE2 3.18Å; K40-E44 WeakPolarHBondContact O-CB 3.46Å; K40-E44 PolarHBondContact O-N 2.77Å
45Q98.5Very high98.8Very high86 Ų8653.3 Ų53.340%0.40227%0.272SS..THydrogen-bonded Turntrans-123.1-48.8-173.8-56.2-178.330.200113.1Q24 I41Q24-Q45 PolarHBondContact O-NE2 3.49Å; Q24-Q45 PolarHBondContact O-OE1 2.79Å; I41-Q45 WeakPolarHBondContact O-CA 3.35Å; I41-Q45 WeakPolarHBondContact O-CB 3.47Å; I41-Q45 PolarHBondContact O-N 2.81Å
46D98.7Very high98.7Very high20 Ų2063.1 Ų63.111%0.10731%0.309CS..  trans-146.593-174.1-178.11.7000112.1R8 Y23 I41 K42 T48 L49R8-D46 IonicContact CZ-OD2 3.34Å; R8-D46 IonicContact NH1-OD2 3.55Å; R8-D46 PolarHBondContact NH1-OD2 2.79Å; R8-D46 IonicContact NH2-OD2 3.81Å; Y23-D46 HydrophobicContact CE1-CB 3.68Å; Y23-D46 PolarHBondContact OH-OD2 2.87Å; I41-D46 PolarHBondContact O-N 2.88Å; K42-D46 WeakPolarHBondContact CA-O 3.23Å; K42-D46 CarbonylContact O-C 3.46Å; D46-T48 PolarHBondContact O-N 3.2Å; D46-T48 WeakPolarHBondContact OD1-CA 3.34Å; D46-T48 VanDerWaalsContact OD1-CB 3.27Å; D46-T48 WeakPolarHBondContact OD1-CB 3.4Å; D46-T48 PolarHBondContact OD1-N 2.86Å; D46-T48 PolarHBondContact OD1-OG1 2.67Å; D46-T48 PolarHBondContact OD2-OG1 2.89Å; D46-L49 PolarHBondContact O-N 3.42Å; D46-L49 VanDerWaalsContact O-N 3.17Å
47P98.6Very high98.7Very high94 Ų9467.2 Ų67.261%0.6133%0.326SS*.THydrogen-bonded Turntrans-66.3-8179.127.5-34.8000113.7K42K42-P47 PolarHBondContact NZ-O 2.79Å; K42-P47 WeakPolarHBondContact O-CA 3.46Å
48T98.6Very high98.7Very high77 Ų7767.2 Ų67.247%0.47233%0.327SS..THydrogen-bonded Turntrans-82.1-17176.977.40000113.2R8 D46 T50R8-T48 PolarHBondContact NH2-O 3.29Å; R8-T48 PolarHBondContact NH2-OG1 2.89Å; D46-T48 PolarHBondContact O-N 3.2Å; D46-T48 WeakPolarHBondContact OD1-CA 3.34Å; D46-T48 VanDerWaalsContact OD1-CB 3.27Å; D46-T48 WeakPolarHBondContact OD1-CB 3.4Å; D46-T48 PolarHBondContact OD1-N 2.86Å; D46-T48 PolarHBondContact OD1-OG1 2.67Å; D46-T48 PolarHBondContact OD2-OG1 2.89Å; T48-T50 PolarHBondContact O-N 2.84Å; T48-T50 PolarHBondContact O-OG1 3.47Å
49L98.9Very high98.7Very high0 Ų071.6 Ų71.60%035%0.349CS..  trans-59.7124.3176.4176.261.8000110.4I6 L38 I41 K42 D46 F51I6-L49 HydrophobicContact CD1-CD2 4.08Å; I6-L49 HydrophobicContact CG2-CD1 3.98Å; L38-L49 HydrophobicContact CD2-CD2 4.23Å; I41-L49 HydrophobicContact CB-CD2 4.14Å; I41-L49 HydrophobicContact CG2-CD2 3.6Å; K42-L49 WeakPolarHBondContact CD-O 3.33Å; K42-L49 PolarHBondContact NZ-O 2.9Å; D46-L49 PolarHBondContact O-N 3.42Å; D46-L49 VanDerWaalsContact O-N 3.17Å; L49-F51 HydrophobicContact CD2-CD1 4.36Å; L49-F51 HydrophobicContact CD2-CE1 4.1Å; L49-F51 HydrophobicContact CG-CD1 4Å; L49-F51 HydrophobicContact CG-CE1 4.05Å
50T98.9Very high98.7Very high32 Ų3271.2 Ų71.220%0.19635%0.351CS..  trans-122.4128.5-171.8-450000112.3T48 K99 D100 L101 I102T48-T50 PolarHBondContact O-N 2.84Å; T48-T50 PolarHBondContact O-OG1 3.47Å; T50-K99 HydrophobicContact CG2-CD 4.4Å; T50-K99 WeakPolarHBondContact OG1-CE 3.46Å; T50-D100 WeakPolarHBondContact CB-OD2 3.31Å; T50-D100 PolarHBondContact N-OD2 2.94Å; T50-D100 WeakPolarHBondContact O-CB 3.35Å; T50-D100 PolarHBondContact OG1-OD2 3.33Å; T50-L101 PolarHBondContact O-N 3.42Å; T50-I102 HydrophobicContact CG2-CD1 3.51Å; T50-I102 HydrophobicContact CG2-CG1 4.34Å
51F98.9Very high98.7Very high19 Ų1970.6 Ų70.68%0.08335%0.351CS..  trans-154.6160.3178.251.3-90.2000110.6L35 L38 I39 K42 L49 R53 L101L35-F51 HydrophobicContact CD1-CD2 4.17Å; L35-F51 HydrophobicContact CD1-CE2 3.8Å; L38-F51 HydrophobicContact CB-CD1 4.34Å; L38-F51 HydrophobicContact CB-CE1 3.84Å; L38-F51 HydrophobicContact CB-CE2 4.13Å; L38-F51 HydrophobicContact CB-CZ 3.73Å; L38-F51 WeakPolarHBondContact O-CE1 3.37Å; L38-F51 WeakPolarHBondContact O-CZ 3.31Å; I39-F51 HydrophobicContact CG1-CE2 4.09Å; I39-F51 HydrophobicContact CG1-CZ 4.04Å; K42-F51 HydrophobicContact CB-CE1 4.18Å; K42-F51 HydrophobicContact CB-CZ 4.44Å; K42-F51 HydrophobicContact CD-CE1 4.13Å; K42-F51 HydrophobicContact CD-CZ 4.3Å; L49-F51 HydrophobicContact CD2-CD1 4.36Å; L49-F51 HydrophobicContact CD2-CE1 4.1Å; L49-F51 HydrophobicContact CG-CD1 4Å; L49-F51 HydrophobicContact CG-CE1 4.05Å; F51-R53 HydrophobicContact CD2-CB 4.43Å; F51-R53 HydrophobicContact CE2-CB 4.49Å; F51-R53 HydrophobicContact CE2-CG 4.41Å; F51-L101 HydrophobicContact CB-CB 4.03Å; F51-L101 HydrophobicContact CB-CD1 4.19Å
52R98.9Very high98.7Very high98 Ų9872.9 Ų72.937%0.3737%0.367SS..  trans-89.6137.5174.2-70.8-169.3179.6105.60110.9S62 C63 I102 P103R52-S62 VanDerWaalsContact CB-O 3.23Å; R52-S62 WeakPolarHBondContact CB-O 3.39Å; R52-C63 VanDerWaalsContact O-CA 3.31Å; R52-C63 WeakPolarHBondContact O-CA 3.19Å; R52-C63 WeakPolarHBondContact O-CB 3.31Å; R52-I102 HydrophobicContact CG-CD1 4.2Å; R52-I102 HydrophobicContact CG-CG1 4.26Å; R52-I102 HydrophobicContact CG-CG2 4.45Å; R52-I102 VanDerWaalsContact NH2-CG2 3.31Å; R52-P103 PolarHBondContact NH1-O 2.92Å
53R98.7Very high98.7Very high140 Ų14070 Ų7053%0.52836%0.355SS..  trans-157.4153.4172.685.5-61171.9-84.8-1110.8L35 F51L35-R53 HydrophobicContact CD1-CB 3.82Å; L35-R53 HydrophobicContact CD1-CG 4.38Å; L35-R53 HydrophobicContact CD2-CB 4.1Å; F51-R53 HydrophobicContact CD2-CB 4.43Å; F51-R53 HydrophobicContact CE2-CB 4.49Å; F51-R53 HydrophobicContact CE2-CG 4.41Å
54S98.7Very high98.7Very high85 Ų8564.8 Ų64.859%0.59433%0.328SS*.  trans-151.1-75.4172-172.30000112.4R56S54-R56 PolarHBondContact O-N 3.32Å
55C98.6Very high98.7Very high21 Ų2159.1 Ų59.114%0.14230%0.302CS..  trans-75-16.7-166.176.20000116.6E57 I59 C60C55-E57 HydrophobicContact CB-CG 4.3Å; C55-E57 PolarHBondContact O-N 3.47Å; C55-I59 HydrophobicContact CB-CG2 3.75Å; C55-I59 PolarHBondContact SG-N 3.34Å; C55-C60 HydrophobicContact CB-CB 3.78Å; C55-C60 PolarHBondContact N-SG 3.49Å; C55-C60 VanDerWaalsContact N-SG 3.42Å; C55-C60 PolarHBondContact SG-N 2.86Å; C55-C60 PolarHBondContact SG-SG 3.46Å
56R98Very high98.7Very high210 Ų21055.8 Ų55.879%0.79229%0.287SS*.SBendtrans536.1-177.558.2173.2-178.7144.35.7117.7L35 S54L35-R56 HydrophobicContact CD2-CB 4.46Å; S54-R56 PolarHBondContact O-N 3.32Å
57E98.5Very high98.7Very high141 Ų14154.8 Ų54.866%0.65928%0.282SS*.SBendtrans-126.214.1-18069.9-159153.400114.4C55 I59C55-E57 HydrophobicContact CB-CG 4.3Å; C55-E57 PolarHBondContact O-N 3.47Å; E57-I59 HydrophobicContact CG-CB 4.34Å; E57-I59 HydrophobicContact CG-CG2 3.81Å
58G98.5Very high98.6Very high2 Ų254.4 Ų54.42%0.02127%0.271CS..SBendtrans78.419.8174.700000116.3C75G58-C75 VanDerWaalsContact CA-SG 3.56Å; G58-C75 PolarHBondContact N-SG 3.45Å
59I98.7Very high98.6Very high93 Ų9353.4 Ų53.448%0.47728%0.277SS..SBendtrans-104.7-29.1-179.2-161.761000115.2C55 E57 I151C55-I59 HydrophobicContact CB-CG2 3.75Å; C55-I59 PolarHBondContact SG-N 3.34Å; E57-I59 HydrophobicContact CG-CB 4.34Å; E57-I59 HydrophobicContact CG-CG2 3.81Å; I59-I151 HydrophobicContact CD1-CG2 4.21Å; I59-I151 WeakPolarHBondContact O-CB 3.36Å; I59-I151 WeakPolarHBondContact O-CG2 3.23Å
60C98.6Very high98.6Very high49 Ų4959.9 Ų59.933%0.33130%0.301SS..SBendtrans-87.4-14.9-176.272.30000115.5C55 S62C55-C60 HydrophobicContact CB-CB 3.78Å; C55-C60 PolarHBondContact N-SG 3.49Å; C55-C60 VanDerWaalsContact N-SG 3.42Å; C55-C60 PolarHBondContact SG-N 2.86Å; C55-C60 PolarHBondContact SG-SG 3.46Å; C60-S62 PolarHBondContact O-N 3.34Å; C60-S62 PolarHBondContact SG-N 3.13Å; C60-S62 PolarHBondContact SG-OG 3.3Å
61G98.6Very high98.6Very high8 Ų858.6 Ų58.68%0.08229%0.293CS..  trans73-3.2-178.600000116.9C63G61-C63 PolarHBondContact O-N 3.04Å
62S98.8Very high98.6Very high48 Ų4859.1 Ų59.134%0.33630%0.296SS..THydrogen-bonded Turntrans-66-31.7-170.7-51.70000115.7R52 C60 A64R52-S62 VanDerWaalsContact CB-O 3.23Å; R52-S62 WeakPolarHBondContact CB-O 3.39Å; C60-S62 PolarHBondContact O-N 3.34Å; C60-S62 PolarHBondContact SG-N 3.13Å; C60-S62 PolarHBondContact SG-OG 3.3Å; S62-A64 VanDerWaalsContact C-N 3.29Å; S62-A64 PolarHBondContact O-N 3.36Å
63C98.9Very high98.6Very high5 Ų554.5 Ų54.53%0.03428%0.278CS..THydrogen-bonded Turntrans-94.928.6-174.765.50000113.4R52 G61 M65 A74 C75R52-C63 VanDerWaalsContact O-CA 3.31Å; R52-C63 WeakPolarHBondContact O-CA 3.19Å; R52-C63 WeakPolarHBondContact O-CB 3.31Å; G61-C63 PolarHBondContact O-N 3.04Å; C63-M65 HydrophobicContact CB-CE 4.42Å; C63-M65 PolarHBondContact O-N 3.42Å; C63-A74 HydrophobicContact CB-CB 4.3Å; C63-A74 PolarHBondContact O-N 2.83Å; C63-A74 VanDerWaalsContact O-N 3.12Å; C63-C75 PolarHBondContact SG-SG 2.98Å
64A98.9Very high98.6Very high10 Ų1047.8 Ų47.88%0.08325%0.253CS..EExtended strand (participates in β ladder)trans-66.1125.2173.300000110.6S62 H72 L73 L92 C153S62-A64 VanDerWaalsContact C-N 3.29Å; S62-A64 PolarHBondContact O-N 3.36Å; A64-H72 WeakPolarHBondContact CA-O 3.33Å; A64-L73 HydrophobicContact CB-CD2 4Å; A64-L92 HydrophobicContact CB-CD1 4.11Å; A64-L92 HydrophobicContact CB-CD2 4.1Å; A64-L92 HydrophobicContact CB-CG 4.43Å; A64-C153 HydrophobicContact CB-CB 4.03Å; A64-C153 WeakPolarHBondContact CB-O 3.17Å
65M98.9Very high98.6Very high3 Ų344 Ų442%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-157.3175.5179.762.7-173.571.400110L38 C63 I67 N71 H72 A74 I89 Y90 L101L38-M65 HydrophobicContact CD1-CE 3.74Å; L38-M65 HydrophobicContact CD1-SD 3.72Å; C63-M65 HydrophobicContact CB-CE 4.42Å; C63-M65 PolarHBondContact O-N 3.42Å; M65-I67 HydrophobicContact CG-CD1 4.01Å; M65-I67 HydrophobicContact CG-CG1 3.78Å; M65-I67 HydrophobicContact SD-CD1 4.48Å; M65-I67 HydrophobicContact SD-CG1 4.38Å; M65-N71 WeakPolarHBondContact O-CA 3.48Å; M65-H72 PolarHBondContact N-O 3.31Å; M65-H72 PolarHBondContact O-N 3.06Å; M65-H72 VanDerWaalsContact O-O 3.09Å; M65-A74 HydrophobicContact CE-CB 3.72Å; M65-A74 HydrophobicContact CG-CB 4.36Å; M65-A74 HydrophobicContact SD-CB 3.83Å; M65-I89 HydrophobicContact CG-CG2 4.39Å; M65-I89 HydrophobicContact SD-CG2 3.59Å; M65-I89 VanDerWaalsContact SD-CG2 3.59Å; M65-Y90 WeakPolarHBondContact CB-O 3.16Å; M65-L101 HydrophobicContact CE-CD1 4.43Å; M65-L101 HydrophobicContact SD-CD1 4.13Å
66N98.9Very high98.6Very high16 Ų1645.9 Ų45.99%0.08624%0.235CC..EExtended strand (participates in β ladder)trans-98.6119.2175.2-172.5-85.8000109.7G69 R70 N71 I89 Y90 P93N66-G69 PolarHBondContact ND2-O 3.45Å; N66-G69 WeakPolarHBondContact OD1-CA 3.42Å; N66-G69 PolarHBondContact OD1-N 2.87Å; N66-R70 CarbonylContact C-O 3.26Å; N66-R70 WeakPolarHBondContact CA-O 3.31Å; N66-R70 PolarHBondContact ND2-N 3.29Å; N66-N71 PolarHBondContact ND2-OD1 2.99Å; N66-I89 WeakPolarHBondContact O-CA 3.19Å; N66-Y90 PolarHBondContact N-O 3.34Å; N66-Y90 PolarHBondContact O-N 3.07Å; N66-P93 HydrophobicContact CB-CG 4.38Å
67I98.8Very high98.6Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-123.9124.7-177.4-52168.8000106.7V34 M65 G69 R70 A74 W77 T87V34-I67 HydrophobicContact CB-CD1 4.19Å; V34-I67 HydrophobicContact CG1-CD1 3.95Å; V34-I67 HydrophobicContact CG1-CG1 4.49Å; V34-I67 HydrophobicContact CG2-CD1 4.43Å; V34-I67 HydrophobicContact CG2-CG2 4.19Å; M65-I67 HydrophobicContact CG-CD1 4.01Å; M65-I67 HydrophobicContact CG-CG1 3.78Å; M65-I67 HydrophobicContact SD-CD1 4.48Å; M65-I67 HydrophobicContact SD-CG1 4.38Å; I67-G69 PolarHBondContact O-N 3.17Å; I67-G69 VanDerWaalsContact O-N 3.17Å; I67-R70 PolarHBondContact N-O 3.05Å; I67-R70 PolarHBondContact O-N 2.78Å; I67-R70 VanDerWaalsContact O-O 3.14Å; I67-A74 HydrophobicContact CD1-CB 4.11Å; I67-W77 HydrophobicContact CD1-CB 3.93Å; I67-W77 HydrophobicContact CD1-CG 3.96Å; I67-W77 HydrophobicContact CG2-CG 4.39Å; I67-T87 HydrophobicContact CG2-CG2 4Å
68E97.2Very high98.6Very high85 Ų8539.2 Ų39.240%0.39721%0.209SC..THydrogen-bonded Turntrans52.336.2-175.8-66.6-53.2103.200113.8R70 T87 K88E68-R70 PolarHBondContact O-N 3.15Å; E68-T87 HydrophobicContact CG-CG2 4.25Å; E68-T87 VanDerWaalsContact OE1-C 3.26Å; E68-T87 WeakPolarHBondContact OE1-CA 3.39Å; E68-K88 PolarHBondContact N-O 3.1Å; E68-K88 PolarHBondContact OE1-N 2.95Å
69G97.7Very high98.6Very high57 Ų5740 Ų4059%0.58821%0.213SC*.THydrogen-bonded Turntrans80.4-5179.800000114.8N66 I67N66-G69 PolarHBondContact ND2-O 3.45Å; N66-G69 WeakPolarHBondContact OD1-CA 3.42Å; N66-G69 PolarHBondContact OD1-N 2.87Å; I67-G69 PolarHBondContact O-N 3.17Å; I67-G69 VanDerWaalsContact O-N 3.17Å
70R98.4Very high98.6Very high136 Ų13638.1 Ų38.151%0.51320%0.204SC..EExtended strand (participates in β ladder)trans-109.8142.5178.2-66.4-174-180-137.91.1111.6N66 I67 E68 W77 E215N66-R70 CarbonylContact C-O 3.26Å; N66-R70 WeakPolarHBondContact CA-O 3.31Å; N66-R70 PolarHBondContact ND2-N 3.29Å; I67-R70 PolarHBondContact N-O 3.05Å; I67-R70 PolarHBondContact O-N 2.78Å; I67-R70 VanDerWaalsContact O-O 3.14Å; E68-R70 PolarHBondContact O-N 3.15Å; R70-W77 HydrophobicContact CB-CH2 4.19Å; R70-E215 IonicContact CZ-OE1 3.53Å; R70-E215 IonicContact NH1-OE1 2.85Å; R70-E215 PolarHBondContact NH1-OE1 3.39Å
71N98.9Very high98.4Very high4 Ų440.6 Ų40.62%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-79.4125.3174.8-63.3-9000109.3M65 N66 L92 P93 C155 T158 S159 T216M65-N71 WeakPolarHBondContact O-CA 3.48Å; N66-N71 PolarHBondContact ND2-OD1 2.99Å; N71-L92 HydrophobicContact CB-CD2 4.37Å; N71-P93 WeakPolarHBondContact OD1-CD 3.49Å; N71-P93 WeakPolarHBondContact OD1-CG 3.33Å; N71-C155 HydrophobicContact CB-CB 3.81Å; N71-C155 PolarHBondContact ND2-O 3.03Å; N71-T158 PolarHBondContact ND2-O 3.25Å; N71-T158 VanDerWaalsContact ND2-O 3.15Å; N71-T158 PolarHBondContact ND2-OG1 3.13Å; N71-S159 PolarHBondContact ND2-N 3.1Å; N71-T216 HydrophobicContact CB-CG2 4.43Å; N71-T216 WeakPolarHBondContact CB-OG1 3.38Å; N71-T216 PolarHBondContact N-OG1 2.91Å; N71-T216 PolarHBondContact O-OG1 2.97Å
72H98.6Very high98.4Very high31 Ų3142.6 Ų42.614%0.14423%0.228CC..EExtended strand (participates in β ladder)trans-152.7178.2175.9-149.5-90.6000111.5A64 M65 W77A64-H72 WeakPolarHBondContact CA-O 3.33Å; M65-H72 PolarHBondContact N-O 3.31Å; M65-H72 PolarHBondContact O-N 3.06Å; M65-H72 VanDerWaalsContact O-O 3.09Å; H72-W77 HydrophobicContact CB-CD2 4.06Å; H72-W77 HydrophobicContact CB-CE3 3.37Å; H72-W77 HydrophobicContact CB-CZ3 3.73Å; H72-W77 AromaticContact CD2-CE3 3.38Å; H72-W77 AromaticContact CD2-CZ3 3.35Å; H72-W77 WeakPolarHBondContact CD2-CZ3 3.31Å; H72-W77 AromaticContact CE1-CE3 3.87Å; H72-W77 AromaticContact CG-CE3 3.13Å; H72-W77 AromaticContact CG-CZ3 3.55Å; H72-W77 AromaticContact ND1-CE3 3.48Å; H72-W77 AromaticContact NE2-CE3 3.86Å
73L98.9Very high98.3Very high0 Ų044.7 Ų44.70%024%0.235CC..EExtended strand (participates in β ladder)trans-90.2123.5170-50.7178.9000109.3A64 C75 I76 W77 I151 C153 P218A64-L73 HydrophobicContact CB-CD2 4Å; L73-C75 PolarHBondContact O-N 3.06Å; L73-I76 HydrophobicContact CB-CD1 4.37Å; L73-I76 HydrophobicContact CB-CG1 3.8Å; L73-I76 HydrophobicContact CD1-CD1 4.01Å; L73-I76 HydrophobicContact CD1-CG1 4.23Å; L73-I76 HydrophobicContact CG-CG1 4.48Å; L73-I76 PolarHBondContact O-N 2.89Å; L73-W77 WeakPolarHBondContact O-CB 3.42Å; L73-W77 PolarHBondContact O-N 2.78Å; L73-I151 HydrophobicContact CD1-CD1 3.59Å; L73-I151 HydrophobicContact CD2-CD1 4.34Å; L73-C153 HydrophobicContact CD2-CB 3.84Å; L73-P218 HydrophobicContact CD1-CB 3.94Å; L73-P218 HydrophobicContact CD1-CG 3.96Å; L73-P218 HydrophobicContact CD2-CG 4.16Å; L73-P218 HydrophobicContact CG-CB 3.72Å; L73-P218 HydrophobicContact CG-CG 3.72Å
74A98.9Very high98.2Very high0 Ų051.2 Ų51.20%027%0.269CS..G310 helixtrans-60.3-28.6-179.400000113.8V34 L35 L38 C63 M65 I67 I76V34-A74 HydrophobicContact CB-CB 4.4Å; V34-A74 HydrophobicContact CG1-CB 4.21Å; V34-A74 PolarHBondContact N-O 3.15Å; L35-A74 HydrophobicContact CB-CB 3.97Å; L35-A74 PolarHBondContact N-O 2.85Å; L38-A74 HydrophobicContact CD1-CB 4.19Å; C63-A74 HydrophobicContact CB-CB 4.3Å; C63-A74 PolarHBondContact O-N 2.83Å; C63-A74 VanDerWaalsContact O-N 3.12Å; M65-A74 HydrophobicContact CE-CB 3.72Å; M65-A74 HydrophobicContact CG-CB 4.36Å; M65-A74 HydrophobicContact SD-CB 3.83Å; I67-A74 HydrophobicContact CD1-CB 4.11Å; A74-I76 VanDerWaalsContact C-N 3.27Å; A74-I76 PolarHBondContact O-N 3.49Å
75C98.8Very high98.1Very high6 Ų656 Ų564%0.04129%0.288CS..G310 helixtrans-73.6-13.5-178.260.90000115.1M33 L35 G58 C63 L73M33-C75 VanDerWaalsContact CG-O 3.31Å; M33-C75 WeakPolarHBondContact CG-O 3.47Å; L35-C75 HydrophobicContact CB-CB 4.19Å; L35-C75 HydrophobicContact CD2-CB 3.61Å; G58-C75 VanDerWaalsContact CA-SG 3.56Å; G58-C75 PolarHBondContact N-SG 3.45Å; C63-C75 PolarHBondContact SG-SG 2.98Å; L73-C75 PolarHBondContact O-N 3.06Å
76I98.6Very high98.1Very high60 Ų6058.6 Ų58.631%0.30830%0.304SS..G310 helixtrans-133.824.218058.1158.1000110.4L73 A74 P218L73-I76 HydrophobicContact CB-CD1 4.37Å; L73-I76 HydrophobicContact CB-CG1 3.8Å; L73-I76 HydrophobicContact CD1-CD1 4.01Å; L73-I76 HydrophobicContact CD1-CG1 4.23Å; L73-I76 HydrophobicContact CG-CG1 4.48Å; L73-I76 PolarHBondContact O-N 2.89Å; A74-I76 VanDerWaalsContact C-N 3.27Å; A74-I76 PolarHBondContact O-N 3.49Å; I76-P218 HydrophobicContact CD1-CB 4.36Å
77W98.4Very high98.1Very high66 Ų6658 Ų5825%0.2530%0.301CS..SBendtrans-110.8112.4171.8-170-82.8000107.2M33 V34 I67 R70 H72 L73M33-W77 WeakPolarHBondContact CA-O 3.5Å; V34-W77 HydrophobicContact CG2-CB 4.48Å; V34-W77 HydrophobicContact CG2-CG 4.46Å; V34-W77 WeakPolarHBondContact CG2-O 3.46Å; V34-W77 PolarHBondContact N-O 3.49Å; I67-W77 HydrophobicContact CD1-CB 3.93Å; I67-W77 HydrophobicContact CD1-CG 3.96Å; I67-W77 HydrophobicContact CG2-CG 4.39Å; R70-W77 HydrophobicContact CB-CH2 4.19Å; H72-W77 HydrophobicContact CB-CD2 4.06Å; H72-W77 HydrophobicContact CB-CE3 3.37Å; H72-W77 HydrophobicContact CB-CZ3 3.73Å; H72-W77 AromaticContact CD2-CE3 3.38Å; H72-W77 AromaticContact CD2-CZ3 3.35Å; H72-W77 WeakPolarHBondContact CD2-CZ3 3.31Å; H72-W77 AromaticContact CE1-CE3 3.87Å; H72-W77 AromaticContact CG-CE3 3.13Å; H72-W77 AromaticContact CG-CZ3 3.55Å; H72-W77 AromaticContact ND1-CE3 3.48Å; H72-W77 AromaticContact NE2-CE3 3.86Å; L73-W77 WeakPolarHBondContact O-CB 3.42Å; L73-W77 PolarHBondContact O-N 2.78Å
78E98.5Very high98.1Very high144 Ų14463.1 Ų63.167%0.67332%0.323SS*.BIsolated β-bridgetrans-64.2142.7-179.4-65.5-179.3174.300110.5M33 D80M33-E78 HydrophobicContact CE-CG 4.17Å; M33-E78 HydrophobicContact SD-CG 4.02Å; E78-D80 PolarHBondContact O-N 3.29Å
79I98.6Very high98.2Very high19 Ų1959 Ų5910%0.09730%0.304CS..  trans-68.7128.1171.9-64.3168.2000108.1K2 F4 L27 G31 P32 M33 V34 A37 P81K2-I79 HydrophobicContact CG-CG2 4.22Å; F4-I79 HydrophobicContact CE1-CG2 4.5Å; F4-I79 HydrophobicContact CZ-CD1 4.06Å; F4-I79 HydrophobicContact CZ-CG1 4.02Å; F4-I79 HydrophobicContact CZ-CG2 3.82Å; L27-I79 HydrophobicContact CD1-CG2 4.22Å; L27-I79 HydrophobicContact CD2-CD1 4.19Å; L27-I79 HydrophobicContact CD2-CG2 3.86Å; G31-I79 WeakPolarHBondContact O-CD1 3.41Å; P32-I79 WeakPolarHBondContact O-CG1 3.37Å; P32-I79 PolarHBondContact O-N 2.9Å; M33-I79 WeakPolarHBondContact O-CD1 3.15Å; V34-I79 HydrophobicContact CG2-CG1 4.09Å; A37-I79 HydrophobicContact CB-CD1 3.86Å; I79-P81 VanDerWaalsContact O-CD 3.26Å; I79-P81 WeakPolarHBondContact O-CD 3.49Å
80D97.8Very high98.2Very high53 Ų5360.2 Ų60.228%0.28329%0.292SS..  trans-62.6115169.1178.4-4.7000109.1K2 E78 D82 K85K2-D80 WeakPolarHBondContact CD-O 3.36Å; K2-D80 WeakPolarHBondContact CE-O 3.49Å; K2-D80 PolarHBondContact NZ-O 3.44Å; E78-D80 PolarHBondContact O-N 3.29Å; D80-D82 PolarHBondContact O-N 3.17Å; D80-D82 VanDerWaalsContact OD1-CB 3.26Å; D80-D82 WeakPolarHBondContact OD1-CB 3.38Å; D80-D82 PolarHBondContact OD1-N 2.83Å; D80-K85 WeakPolarHBondContact OD2-CD 3.4Å
81P96Very high98.3Very high101 Ų10154.2 Ų54.266%0.65627%0.27SS*.  trans-70.8-10.6-175.930.7-36.2000113.3I79 I83I79-P81 VanDerWaalsContact O-CD 3.26Å; I79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-I83 PolarHBondContact O-N 2.89Å
82D97.4Very high98.3Very high50 Ų5054.2 Ų54.227%0.26727%0.27SS..  trans-66.998.6176.3-174.7-3.6000110.8K2 D80 N84 K85K2-D82 PolarHBondContact NZ-O 3.22Å; D80-D82 PolarHBondContact O-N 3.17Å; D80-D82 VanDerWaalsContact OD1-CB 3.26Å; D80-D82 WeakPolarHBondContact OD1-CB 3.38Å; D80-D82 PolarHBondContact OD1-N 2.83Å; D82-N84 PolarHBondContact O-N 2.75Å; D82-N84 VanDerWaalsContact O-N 3.17Å; D82-N84 WeakPolarHBondContact OD1-CB 3.5Å; D82-N84 PolarHBondContact OD1-N 3.17Å; D82-N84 PolarHBondContact OD1-ND2 2.77Å; D82-K85 HydrophobicContact CB-CD 4.21Å; D82-K85 HydrophobicContact CB-CG 4.46Å; D82-K85 PolarHBondContact O-N 3.02Å; D82-K85 VanDerWaalsContact O-N 3.1Å; D82-K85 WeakPolarHBondContact OD2-CD 3.39Å; D82-K85 WeakPolarHBondContact OD2-CE 3.12Å; D82-K85 WeakPolarHBondContact OD2-CG 3.13Å; D82-K85 IonicContact OD2-NZ 3.66Å; D82-K85 PolarHBondContact OD2-NZ 3.04Å
83I96.6Very high98.3Very high92 Ų9254.3 Ų54.347%0.47227%0.274SS..THydrogen-bonded Turntrans-64.4-17-179.161.1170.2000113.5P81 K85P81-I83 PolarHBondContact O-N 2.89Å; I83-K85 VanDerWaalsContact C-N 3.29Å
84N97.3Very high98.2Very high143 Ų14360.1 Ų60.177%0.76530%0.3SS*.THydrogen-bonded Turntrans-79.7-15.6177.7-54.6-63.4000112.1D82D82-N84 PolarHBondContact O-N 2.75Å; D82-N84 VanDerWaalsContact O-N 3.17Å; D82-N84 WeakPolarHBondContact OD1-CB 3.5Å; D82-N84 PolarHBondContact OD1-N 3.17Å; D82-N84 PolarHBondContact OD1-ND2 2.77Å
85K97.6Very high98.2Very high110 Ų11061.7 Ų61.748%0.47831%0.308SS..SBendtrans-97.4129.5175.2-69.1174.7-172.3154.50110.6K2 D80 D82 I83K2-K85 WeakPolarHBondContact CE-O 3.03Å; K2-K85 PolarHBondContact NZ-O 3.37Å; D80-K85 WeakPolarHBondContact OD2-CD 3.4Å; D82-K85 HydrophobicContact CB-CD 4.21Å; D82-K85 HydrophobicContact CB-CG 4.46Å; D82-K85 PolarHBondContact O-N 3.02Å; D82-K85 VanDerWaalsContact O-N 3.1Å; D82-K85 WeakPolarHBondContact OD2-CD 3.39Å; D82-K85 WeakPolarHBondContact OD2-CE 3.12Å; D82-K85 WeakPolarHBondContact OD2-CG 3.13Å; D82-K85 IonicContact OD2-NZ 3.66Å; D82-K85 PolarHBondContact OD2-NZ 3.04Å; I83-K85 VanDerWaalsContact C-N 3.29Å
86T98.4Very high98.2Very high57 Ų5771.3 Ų71.335%0.3535%0.345SS..PPolyproline II helixtrans-83.7123.9171.1-65.80000109.8T3T3-T86 HydrophobicContact CG2-CG2 3.88Å; T3-T86 WeakPolarHBondContact O-CA 3.33Å
87T98.7Very high98.1Very high3 Ų370 Ų702%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-82117.1177-64.70000110.7K2 T3 F4 S5 I67 E68 I89K2-T87 WeakPolarHBondContact CE-OG1 3.04Å; T3-T87 PolarHBondContact O-N 3.08Å; F4-T87 CarbonylContact C-O 3.54Å; F4-T87 VanDerWaalsContact CA-O 3.31Å; F4-T87 WeakPolarHBondContact CA-O 3.29Å; F4-T87 HydrophobicContact CD1-CG2 3.85Å; F4-T87 HydrophobicContact CE1-CG2 3.95Å; S5-T87 PolarHBondContact N-O 3.25Å; I67-T87 HydrophobicContact CG2-CG2 4Å; E68-T87 HydrophobicContact CG-CG2 4.25Å; E68-T87 VanDerWaalsContact OE1-C 3.26Å; E68-T87 WeakPolarHBondContact OE1-CA 3.39Å; T87-I89 HydrophobicContact CG2-CG1 4.28Å
88K98.8Very high98.1Very high108 Ų10870.6 Ų70.647%0.4735%0.347SS..EExtended strand (participates in β ladder)trans-90.6130.2179-62.1-179.7-176.6174.80111.2S5 E68 Y90S5-K88 CarbonylContact O-C 3.54Å; S5-K88 VanDerWaalsContact O-CA 3.31Å; S5-K88 WeakPolarHBondContact O-CA 3.12Å; E68-K88 PolarHBondContact N-O 3.1Å; E68-K88 PolarHBondContact OE1-N 2.95Å; K88-Y90 HydrophobicContact CB-CD2 4.46Å; K88-Y90 HydrophobicContact CB-CE2 3.8Å; K88-Y90 HydrophobicContact CD-CE2 4.4Å
89I98.9Very high98.1Very high0 Ų066.4 Ų66.40%033%0.327CS..EExtended strand (participates in β ladder)trans-125.5124.8-179.3-55.8178.7000109.8F4 S5 I6 Y7 V34 L38 M65 N66 T87 L101F4-I89 HydrophobicContact CD1-CD1 3.91Å; S5-I89 PolarHBondContact O-N 3.37Å; I6-I89 HydrophobicContact CG1-CB 4.35Å; I6-I89 HydrophobicContact CG1-CD1 4.35Å; I6-I89 HydrophobicContact CG2-CB 4.37Å; Y7-I89 PolarHBondContact N-O 3.35Å; V34-I89 HydrophobicContact CG1-CD1 3.6Å; L38-I89 HydrophobicContact CD2-CD1 3.94Å; L38-I89 HydrophobicContact CG-CD1 4.42Å; M65-I89 HydrophobicContact CG-CG2 4.39Å; M65-I89 HydrophobicContact SD-CG2 3.59Å; M65-I89 VanDerWaalsContact SD-CG2 3.59Å; N66-I89 WeakPolarHBondContact O-CA 3.19Å; T87-I89 HydrophobicContact CG2-CG1 4.28Å; I89-L101 HydrophobicContact CG2-CD1 3.73Å; I89-L101 HydrophobicContact CG2-CD2 4.02Å
90Y98.9Very high98.1Very high81 Ų8165.6 Ų65.632%0.31832%0.323SS..EExtended strand (participates in β ladder)trans-127.1161.5178.3-63.1-87.5000111Y7 M20 M65 N66 K88Y7-Y90 AromaticContact CD2-CD1 4Å; Y7-Y90 HydrophobicContact CD2-CD1 4Å; Y7-Y90 HydrophobicContact CD2-CE1 4.49Å; Y7-Y90 HydrophobicContact CG-CD1 4.4Å; M20-Y90 HydrophobicContact CE-CD1 4.46Å; M20-Y90 HydrophobicContact CE-CE1 3.74Å; M20-Y90 HydrophobicContact CE-CE2 4.22Å; M20-Y90 HydrophobicContact SD-CD1 4.08Å; M20-Y90 HydrophobicContact SD-CE1 3.29Å; M20-Y90 WeakPolarHBondContact SD-CE1 3.44Å; M65-Y90 WeakPolarHBondContact CB-O 3.16Å; N66-Y90 PolarHBondContact N-O 3.34Å; N66-Y90 PolarHBondContact O-N 3.07Å; K88-Y90 HydrophobicContact CB-CD2 4.46Å; K88-Y90 HydrophobicContact CB-CE2 3.8Å; K88-Y90 HydrophobicContact CD-CE2 4.4Å
91P98.9Very high98.2Very high10 Ų1063.3 Ų63.37%0.06531%0.31CS..PPolyproline II helixtrans-60.3172.1166.6-1528.7000111.3Y7 V97 D100 L101Y7-P91 HydrophobicContact CD1-CG 3.73Å; Y7-P91 HydrophobicContact CE1-CG 4.01Å; Y7-P91 HydrophobicContact CG-CG 4.1Å; P91-V97 HydrophobicContact CB-CG2 4.16Å; P91-V97 HydrophobicContact CG-CG1 4.47Å; P91-V97 HydrophobicContact CG-CG2 3.83Å; P91-D100 WeakPolarHBondContact CG-O 3.28Å; P91-L101 HydrophobicContact CG-CD2 4.37Å
92L98.8Very high98.3Very high5 Ų559.6 Ų59.63%0.02629%0.285CS..SBendtrans-56.7132.3169.7-69.3179000110.6A64 N71 M95 P103 M105 A154 T158A64-L92 HydrophobicContact CB-CD1 4.11Å; A64-L92 HydrophobicContact CB-CD2 4.1Å; A64-L92 HydrophobicContact CB-CG 4.43Å; N71-L92 HydrophobicContact CB-CD2 4.37Å; L92-M95 HydrophobicContact CB-CG 4.16Å; L92-P103 HydrophobicContact CB-CG 4.34Å; L92-P103 HydrophobicContact CD1-CG 4.35Å; L92-P103 HydrophobicContact CG-CG 4.46Å; L92-M105 HydrophobicContact CD1-SD 4.28Å; L92-A154 HydrophobicContact CD1-CB 4.23Å; L92-T158 HydrophobicContact CB-CG2 3.98Å; L92-T158 HydrophobicContact CD1-CG2 4.16Å; L92-T158 WeakPolarHBondContact CD2-OG1 3.38Å
93P98.7Very high98.4Very high32 Ų3257.5 Ų57.521%0.20827%0.274CS..THydrogen-bonded Turntrans-62.4146.8-172.1-23.933000113.9N66 N71 M95 T158 W164N66-P93 HydrophobicContact CB-CG 4.38Å; N71-P93 WeakPolarHBondContact OD1-CD 3.49Å; N71-P93 WeakPolarHBondContact OD1-CG 3.33Å; P93-M95 PolarHBondContact O-N 3.23Å; P93-T158 WeakPolarHBondContact CD-O 3.22Å; P93-W164 HydrophobicContact CB-CZ2 4.07Å
94H97.9Very high98.5Very high122 Ų12255.6 Ų55.657%0.56527%0.265SS*.THydrogen-bonded Turntrans56.335.2174.7-156.7-76.3000114.2W164H94-W164 HydrophobicContact CB-CB 3.92Å; H94-W164 HydrophobicContact CB-CD2 4.43Å; H94-W164 HydrophobicContact CB-CG 3.72Å; H94-W164 PolarHBondContact CE1-O 3.11Å; H94-W164 PolarHBondContact ND1-O 3.11Å; H94-W164 PolarHBondContact NE2-O 3.13Å
95M98.1Very high98.5Very high34 Ų3449.5 Ų49.517%0.16723%0.232CC..SBendtrans-114148.8174.3-61-69.7-84.400109.5L92 P93 V97 P103 D104 M105 T158L92-M95 HydrophobicContact CB-CG 4.16Å; P93-M95 PolarHBondContact O-N 3.23Å; M95-V97 PolarHBondContact O-N 3.19Å; M95-P103 HydrophobicContact CB-CB 3.69Å; M95-P103 HydrophobicContact CG-CB 4.24Å; M95-D104 WeakPolarHBondContact CE-O 3.48Å; M95-M105 HydrophobicContact CE-SD 3.56Å; M95-M105 VanDerWaalsContact CE-SD 3.56Å; M95-T158 HydrophobicContact CE-CG2 4.3Å; M95-T158 HydrophobicContact CG-CG2 3.8Å; M95-T158 HydrophobicContact SD-CG2 3.77Å
96Y98.2Very high98.6Very high207 Ų20749.4 Ų49.481%0.81224%0.236SC*.  trans-63.8130.2166.8-70.2-71.9000109.1P103 D104Y96-P103 CarbonylContact O-C 3.49Å; Y96-P103 WeakPolarHBondContact O-CA 3.16Å; Y96-D104 PolarHBondContact O-N 3.32Å
97V98.5Very high98.6Very high33 Ų3350.2 Ų50.220%0.224%0.239CC..EExtended strand (participates in β ladder)trans-92.2126.7178.8-179.10000108.7Y7 W9 P91 M95 D100Y7-V97 HydrophobicContact CE1-CG1 4Å; Y7-V97 HydrophobicContact CE1-CG2 4.3Å; W9-V97 HydrophobicContact CE3-CG1 4.26Å; W9-V97 WeakPolarHBondContact CZ3-O 3.32Å; P91-V97 HydrophobicContact CB-CG2 4.16Å; P91-V97 HydrophobicContact CG-CG1 4.47Å; P91-V97 HydrophobicContact CG-CG2 3.83Å; M95-V97 PolarHBondContact O-N 3.19Å; V97-D100 WeakPolarHBondContact CG1-O 3.41Å
98I98.2Very high98.6Very high79 Ų7950.1 Ų50.141%0.40524%0.238SC..EExtended strand (participates in β ladder)trans-79.4-48.4173.6-61.7174.3000109.6W9 P11 I102 D104W9-I98 VanDerWaalsContact CZ3-O 3.31Å; W9-I98 WeakPolarHBondContact CZ3-O 3.31Å; P11-I98 WeakPolarHBondContact CD-O 3.47Å; P11-I98 VanDerWaalsContact CG-O 3.32Å; P11-I98 WeakPolarHBondContact CG-O 3.22Å; I98-I102 HydrophobicContact CB-CG2 4.16Å; I98-I102 HydrophobicContact CD1-CG2 4.3Å; I98-I102 PolarHBondContact N-O 3.42Å; I98-D104 HydrophobicContact CD1-CB 4.1Å; I98-D104 HydrophobicContact CG1-CB 4.03Å
99K98.6Very high98.6Very high55 Ų5550.1 Ų50.124%0.23924%0.236CC..EExtended strand (participates in β ladder)trans-166.2136.3177.1-178.3170-177.1163.80109.9P11 T50 L101 I102P11-K99 HydrophobicContact CG-CB 4.44Å; T50-K99 HydrophobicContact CG2-CD 4.4Å; T50-K99 WeakPolarHBondContact OG1-CE 3.46Å; K99-L101 PolarHBondContact O-N 3.32Å; K99-L101 VanDerWaalsContact O-N 3.1Å; K99-I102 WeakPolarHBondContact O-CB 3.35Å; K99-I102 PolarHBondContact O-N 3.17Å
100D98.7Very high98.6Very high2 Ų252.1 Ų52.11%0.01125%0.252CS..THydrogen-bonded Turntrans43.9-115.9177.9-67.6-25.9000112.3Y7 R8 W9 T50 P91 V97 I102Y7-D100 WeakPolarHBondContact CD1-O 3.43Å; Y7-D100 WeakPolarHBondContact CE1-O 3.39Å; R8-D100 WeakPolarHBondContact CA-OD1 3.42Å; R8-D100 IonicContact CZ-OD1 2.71Å; R8-D100 IonicContact CZ-OD2 2.72Å; R8-D100 VanDerWaalsContact NE-CG 3.34Å; R8-D100 IonicContact NE-OD1 3.55Å; R8-D100 PolarHBondContact NE-OD1 3.27Å; R8-D100 IonicContact NE-OD2 3.01Å; R8-D100 PolarHBondContact NE-OD2 3.34Å; R8-D100 IonicContact NH2-OD1 3.69Å; R8-D100 IonicContact NH2-OD2 3.21Å; R8-D100 PolarHBondContact NH2-OD2 3.17Å; W9-D100 PolarHBondContact N-OD1 3.47Å; W9-D100 PolarHBondContact O-N 2.57Å; T50-D100 WeakPolarHBondContact CB-OD2 3.31Å; T50-D100 PolarHBondContact N-OD2 2.94Å; T50-D100 WeakPolarHBondContact O-CB 3.35Å; T50-D100 PolarHBondContact OG1-OD2 3.33Å; P91-D100 WeakPolarHBondContact CG-O 3.28Å; V97-D100 WeakPolarHBondContact CG1-O 3.41Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 2.87Å
101L98.9Very high98.5Very high5 Ų548.8 Ų48.83%0.02624%0.24CC..THydrogen-bonded Turntrans-90.914.4-177.2-57.5179.1000113.8I6 L38 T50 F51 M65 I89 P91 K99 P103I6-L101 HydrophobicContact CG2-CD1 3.9Å; I6-L101 HydrophobicContact CG2-CD2 4.04Å; I6-L101 HydrophobicContact CG2-CG 4.15Å; L38-L101 HydrophobicContact CD1-CD1 4.44Å; L38-L101 HydrophobicContact CD2-CD1 4.21Å; T50-L101 PolarHBondContact O-N 3.42Å; F51-L101 HydrophobicContact CB-CB 4.03Å; F51-L101 HydrophobicContact CB-CD1 4.19Å; M65-L101 HydrophobicContact CE-CD1 4.43Å; M65-L101 HydrophobicContact SD-CD1 4.13Å; I89-L101 HydrophobicContact CG2-CD1 3.73Å; I89-L101 HydrophobicContact CG2-CD2 4.02Å; P91-L101 HydrophobicContact CG-CD2 4.37Å; K99-L101 PolarHBondContact O-N 3.32Å; K99-L101 VanDerWaalsContact O-N 3.1Å; L101-P103 WeakPolarHBondContact O-CD 3.38Å
102I98.9Very high98.5Very high24 Ų2450.8 Ų50.812%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-101.2102-175.4-59.8-167.2000110T50 R52 I98 K99 D100T50-I102 HydrophobicContact CG2-CD1 3.51Å; T50-I102 HydrophobicContact CG2-CG1 4.34Å; R52-I102 HydrophobicContact CG-CD1 4.2Å; R52-I102 HydrophobicContact CG-CG1 4.26Å; R52-I102 HydrophobicContact CG-CG2 4.45Å; R52-I102 VanDerWaalsContact NH2-CG2 3.31Å; I98-I102 HydrophobicContact CB-CG2 4.16Å; I98-I102 HydrophobicContact CD1-CG2 4.3Å; I98-I102 PolarHBondContact N-O 3.42Å; K99-I102 WeakPolarHBondContact O-CB 3.35Å; K99-I102 PolarHBondContact O-N 3.17Å; D100-I102 VanDerWaalsContact C-N 3.32Å; D100-I102 PolarHBondContact O-N 2.87Å
103P98.7Very high98.5Very high5 Ų559 Ų593%0.03228%0.277CS..EExtended strand (participates in β ladder)trans-76.4157.3170.832-35.7000112R52 L92 M95 Y96 L101 M105R52-P103 PolarHBondContact NH1-O 2.92Å; L92-P103 HydrophobicContact CB-CG 4.34Å; L92-P103 HydrophobicContact CD1-CG 4.35Å; L92-P103 HydrophobicContact CG-CG 4.46Å; M95-P103 HydrophobicContact CB-CB 3.69Å; M95-P103 HydrophobicContact CG-CB 4.24Å; Y96-P103 CarbonylContact O-C 3.49Å; Y96-P103 WeakPolarHBondContact O-CA 3.16Å; L101-P103 WeakPolarHBondContact O-CD 3.38Å; P103-M105 HydrophobicContact CG-CG 4.41Å; P103-M105 HydrophobicContact CG-SD 4.13Å
104D98.7Very high98.4Very high53 Ų5362.1 Ų62.128%0.28329%0.288SS..  trans-77.4120.6163.3-172.3-23.8000109.9M95 Y96 I98 N106M95-D104 WeakPolarHBondContact CE-O 3.48Å; Y96-D104 PolarHBondContact O-N 3.32Å; I98-D104 HydrophobicContact CD1-CB 4.1Å; I98-D104 HydrophobicContact CG1-CB 4.03Å; D104-N106 WeakPolarHBondContact OD1-CB 3.49Å; D104-N106 PolarHBondContact OD1-N 2.96Å; D104-N106 PolarHBondContact OD1-ND2 3.03Å; D104-N106 PolarHBondContact OD2-ND2 3.46Å
105M98.4Very high98.5Very high15 Ų1557 Ų577%0.07426%0.264CS..  trans-105.13.7-176.8-66-65.1-70.100113.5L92 M95 P103 N107 F108 Y109 A154L92-M105 HydrophobicContact CD1-SD 4.28Å; M95-M105 HydrophobicContact CE-SD 3.56Å; M95-M105 VanDerWaalsContact CE-SD 3.56Å; P103-M105 HydrophobicContact CG-CG 4.41Å; P103-M105 HydrophobicContact CG-SD 4.13Å; M105-N107 PolarHBondContact O-N 3.42Å; M105-F108 HydrophobicContact CE-CB 4.2Å; M105-F108 HydrophobicContact CE-CD1 3.64Å; M105-F108 HydrophobicContact CE-CE1 4.19Å; M105-F108 HydrophobicContact CE-CG 3.95Å; M105-F108 WeakPolarHBondContact O-CB 3.45Å; M105-F108 PolarHBondContact O-N 3.5Å; M105-F108 VanDerWaalsContact O-N 3.13Å; M105-Y109 HydrophobicContact CB-CD2 3.93Å; M105-Y109 HydrophobicContact CB-CE2 3.33Å; M105-Y109 HydrophobicContact CG-CE2 4.42Å; M105-Y109 WeakPolarHBondContact O-CD2 3.47Å; M105-Y109 PolarHBondContact O-N 3.49Å; M105-A154 HydrophobicContact CE-CB 3.36Å; M105-A154 HydrophobicContact SD-CB 4.46Å
106N98.3Very high98.5Very high107 Ų10758.8 Ų58.857%0.57227%0.272SS*.Hα-helixtrans-59.6-45-171.4-71.8-41.5000112.8D104 F108 Y109 A110D104-N106 WeakPolarHBondContact OD1-CB 3.49Å; D104-N106 PolarHBondContact OD1-N 2.96Å; D104-N106 PolarHBondContact OD1-ND2 3.03Å; D104-N106 PolarHBondContact OD2-ND2 3.46Å; N106-F108 VanDerWaalsContact C-N 3.34Å; N106-F108 PolarHBondContact O-N 3.07Å; N106-Y109 PolarHBondContact O-N 3.18Å; N106-A110 WeakPolarHBondContact O-CB 3.42Å; N106-A110 PolarHBondContact O-N 3.34Å
107N98.4Very high98.5Very high75 Ų7550.1 Ų50.140%0.40124%0.241SC..Hα-helixtrans-63.7-38.8177.3179.453.1000112.3M105 Y109 A110 Q111 G167M105-N107 PolarHBondContact O-N 3.42Å; N107-Y109 PolarHBondContact O-N 3.35Å; N107-A110 PolarHBondContact O-N 3.19Å; N107-Q111 PolarHBondContact ND2-NE2 3.44Å; N107-Q111 VanDerWaalsContact ND2-NE2 3.17Å; N107-Q111 WeakPolarHBondContact O-CG 3.5Å; N107-Q111 PolarHBondContact O-N 3.28Å; N107-Q111 PolarHBondContact O-NE2 3.07Å; N107-Q111 VanDerWaalsContact O-NE2 3.15Å; N107-G167 PolarHBondContact ND2-O 3.02Å
108F98.7Very high98.5Very high1 Ų154.2 Ų54.20%0.00425%0.254CS..Hα-helixtrans-61.2-45.7175.7175.7-96.8000111.1M105 N106 Q111 Y112 L152 A154 A174M105-F108 HydrophobicContact CE-CB 4.2Å; M105-F108 HydrophobicContact CE-CD1 3.64Å; M105-F108 HydrophobicContact CE-CE1 4.19Å; M105-F108 HydrophobicContact CE-CG 3.95Å; M105-F108 WeakPolarHBondContact O-CB 3.45Å; M105-F108 PolarHBondContact O-N 3.5Å; M105-F108 VanDerWaalsContact O-N 3.13Å; N106-F108 VanDerWaalsContact C-N 3.34Å; N106-F108 PolarHBondContact O-N 3.07Å; F108-Q111 PolarHBondContact O-N 3.23Å; F108-Y112 PolarHBondContact O-N 2.91Å; F108-Y112 VanDerWaalsContact O-N 3.07Å; F108-L152 HydrophobicContact CE1-CB 4.27Å; F108-L152 HydrophobicContact CE1-CD2 4.49Å; F108-L152 HydrophobicContact CZ-CD2 4.38Å; F108-A154 HydrophobicContact CD1-CB 4.28Å; F108-A154 HydrophobicContact CD2-CB 3.8Å; F108-A154 HydrophobicContact CE1-CB 4.09Å; F108-A154 HydrophobicContact CE2-CB 3.56Å; F108-A154 HydrophobicContact CG-CB 4.15Å; F108-A154 HydrophobicContact CZ-CB 3.73Å; F108-A174 HydrophobicContact CE2-CB 3.62Å; F108-A174 HydrophobicContact CZ-CB 3.75Å
109Y98.6Very high98.4Very high107 Ų10753.3 Ų53.342%0.4225%0.25SC..Hα-helixtrans-69.8-32.8177-59.5-45.1000113.4M105 N106 N107 Y112 R113M105-Y109 HydrophobicContact CB-CD2 3.93Å; M105-Y109 HydrophobicContact CB-CE2 3.33Å; M105-Y109 HydrophobicContact CG-CE2 4.42Å; M105-Y109 WeakPolarHBondContact O-CD2 3.47Å; M105-Y109 PolarHBondContact O-N 3.49Å; N106-Y109 PolarHBondContact O-N 3.18Å; N107-Y109 PolarHBondContact O-N 3.35Å; Y109-Y112 PolarHBondContact O-N 3.36Å; Y109-R113 WeakPolarHBondContact O-CG 3.48Å; Y109-R113 PolarHBondContact O-N 3.38Å
110A98.6Very high98.3Very high42 Ų4252.5 Ų52.535%0.34725%0.246SC..Hα-helixtrans-63.5-44.9173.800000111.5N106 N107 Y112 R113 F114N106-A110 WeakPolarHBondContact O-CB 3.42Å; N106-A110 PolarHBondContact O-N 3.34Å; N107-A110 PolarHBondContact O-N 3.19Å; A110-Y112 VanDerWaalsContact C-N 3.34Å; A110-Y112 PolarHBondContact O-N 3.12Å; A110-R113 PolarHBondContact O-N 3.15Å; A110-F114 PolarHBondContact O-N 2.87Å
111Q98.6Very high98Very high12 Ų1254.1 Ų54.16%0.05625%0.253CS..Hα-helixtrans-65.5-35.3175.8-70.6171.5105.600112.6N107 F108 F114 Y163 G167 Y170 L171 V175N107-Q111 PolarHBondContact ND2-NE2 3.44Å; N107-Q111 VanDerWaalsContact ND2-NE2 3.17Å; N107-Q111 WeakPolarHBondContact O-CG 3.5Å; N107-Q111 PolarHBondContact O-N 3.28Å; N107-Q111 PolarHBondContact O-NE2 3.07Å; N107-Q111 VanDerWaalsContact O-NE2 3.15Å; F108-Q111 PolarHBondContact O-N 3.23Å; Q111-F114 WeakPolarHBondContact O-CB 3.36Å; Q111-F114 PolarHBondContact O-N 3.37Å; Q111-Y163 PolarHBondContact NE2-OH 2.62Å; Q111-G167 PolarHBondContact OE1-O 3.39Å; Q111-Y170 PolarHBondContact OE1-O 3.43Å; Q111-L171 HydrophobicContact CB-CD2 3.97Å; Q111-L171 HydrophobicContact CG-CD2 4Å; Q111-L171 VanDerWaalsContact OE1-CA 3.25Å; Q111-V175 HydrophobicContact CB-CG2 4.08Å; Q111-V175 WeakPolarHBondContact O-CG1 3.39Å
112Y98.8Very high97.7Very high52 Ų5257.2 Ų57.220%0.20427%0.266CS..Hα-helixtrans-64.1-40.1172.2179.9-116.4000112.2F108 Y109 A110 F114 I115 P117 L152 Q178F108-Y112 PolarHBondContact O-N 2.91Å; F108-Y112 VanDerWaalsContact O-N 3.07Å; Y109-Y112 PolarHBondContact O-N 3.36Å; A110-Y112 VanDerWaalsContact C-N 3.34Å; A110-Y112 PolarHBondContact O-N 3.12Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 2.9Å; Y112-I115 HydrophobicContact CD2-CD1 4.18Å; Y112-I115 HydrophobicContact CD2-CG1 4.49Å; Y112-I115 HydrophobicContact CE2-CD1 4.39Å; Y112-I115 WeakPolarHBondContact O-CG1 3.48Å; Y112-P117 HydrophobicContact CD1-CG 4.04Å; Y112-P117 HydrophobicContact CD2-CB 4.26Å; Y112-P117 HydrophobicContact CD2-CG 4.21Å; Y112-P117 HydrophobicContact CE1-CB 4.17Å; Y112-P117 HydrophobicContact CE1-CG 3.58Å; Y112-P117 HydrophobicContact CE2-CB 3.52Å; Y112-P117 HydrophobicContact CE2-CG 3.76Å; Y112-P117 HydrophobicContact CG-CG 4.35Å; Y112-P117 VanDerWaalsContact CZ-CB 3.48Å; Y112-P117 VanDerWaalsContact CZ-CG 3.43Å; Y112-P117 WeakPolarHBondContact O-CD 3.3Å; Y112-P117 WeakPolarHBondContact O-CG 3.43Å; Y112-L152 HydrophobicContact CD1-CD1 4.07Å; Y112-L152 HydrophobicContact CD2-CD2 4.06Å; Y112-L152 HydrophobicContact CE1-CD1 3.75Å; Y112-L152 HydrophobicContact CE2-CD1 4.3Å; Y112-L152 HydrophobicContact CE2-CD2 4.08Å; Y112-L152 HydrophobicContact CG-CD1 4.47Å; Y112-L152 HydrophobicContact CG-CD2 4.43Å; Y112-Q178 HydrophobicContact CD2-CB 4.28Å; Y112-Q178 HydrophobicContact CD2-CG 4.38Å; Y112-Q178 HydrophobicContact CE2-CB 3.83Å; Y112-Q178 HydrophobicContact CE2-CG 3.81Å
113R98.4Very high97.2Very high178 Ų17864 Ų6467%0.67230%0.303SS*.Hα-helixtrans-65.5-35.8174.3-73.7-177.2-71.9166.8-2.2112.5Y109 A110 I115 E116Y109-R113 WeakPolarHBondContact O-CG 3.48Å; Y109-R113 PolarHBondContact O-N 3.38Å; A110-R113 PolarHBondContact O-N 3.15Å; R113-I115 PolarHBondContact O-N 3.36Å; R113-E116 PolarHBondContact O-N 3.28Å
114F97.4Very high96.7Very high97 Ų9766.1 Ų66.143%0.42532%0.316SS..Hα-helixtrans-56.5-34.7-179.9172.7-95.9000113.2A110 Q111 Y112 E116 L171A110-F114 PolarHBondContact O-N 2.87Å; Q111-F114 WeakPolarHBondContact O-CB 3.36Å; Q111-F114 PolarHBondContact O-N 3.37Å; Y112-F114 VanDerWaalsContact C-N 3.33Å; Y112-F114 PolarHBondContact O-N 2.9Å; F114-E116 PolarHBondContact O-N 3.02Å; F114-L171 HydrophobicContact CD1-CD1 4.26Å; F114-L171 HydrophobicContact CD1-CD2 3.89Å; F114-L171 HydrophobicContact CE1-CD1 4.34Å; F114-L171 HydrophobicContact CE1-CD2 4.41Å
115I98.1Very high96.3Very high13 Ų1369 Ų697%0.06733%0.331CS..THydrogen-bonded Turntrans-80.85.918061.9156.4000114.2Y112 R113 P117 L171 V175 Q178 A179 R194 F198Y112-I115 HydrophobicContact CD2-CD1 4.18Å; Y112-I115 HydrophobicContact CD2-CG1 4.49Å; Y112-I115 HydrophobicContact CE2-CD1 4.39Å; Y112-I115 WeakPolarHBondContact O-CG1 3.48Å; R113-I115 PolarHBondContact O-N 3.36Å; I115-P117 HydrophobicContact CD1-CB 4.25Å; I115-P117 HydrophobicContact CG1-CB 4.28Å; I115-L171 HydrophobicContact CG2-CD1 3.96Å; I115-V175 HydrophobicContact CB-CG1 4.44Å; I115-V175 HydrophobicContact CD1-CG1 3.95Å; I115-V175 WeakPolarHBondContact CD1-O 3.26Å; I115-V175 HydrophobicContact CG1-CG1 4.04Å; I115-V175 HydrophobicContact CG2-CG1 3.56Å; I115-Q178 HydrophobicContact CD1-CB 3.75Å; I115-A179 HydrophobicContact CB-CB 4.47Å; I115-A179 HydrophobicContact CD1-CB 4.11Å; I115-A179 HydrophobicContact CG2-CB 4.29Å; I115-R194 PolarHBondContact O-NH1 2.87Å; I115-F198 HydrophobicContact CG2-CE1 4.48Å; I115-F198 HydrophobicContact CG2-CZ 4.42Å
116E98.6Very high96Very high72 Ų7276.7 Ų76.734%0.33637%0.367SS..  trans47.866.5-178.7-62.5-174.5136.600112.6R113 F114 Y118 K120 R194R113-E116 PolarHBondContact O-N 3.28Å; F114-E116 PolarHBondContact O-N 3.02Å; E116-Y118 HydrophobicContact CB-CD1 4.46Å; E116-Y118 HydrophobicContact CB-CE1 3.74Å; E116-Y118 HydrophobicContact CB-CE2 4.42Å; E116-Y118 HydrophobicContact CG-CE1 4.31Å; E116-Y118 PolarHBondContact O-N 2.97Å; E116-Y118 PolarHBondContact OE1-OH 3.24Å; E116-K120 IonicContact OE1-NZ 3.49Å; E116-K120 IonicContact OE2-NZ 3.75Å; E116-K120 PolarHBondContact OE2-NZ 2.91Å; E116-R194 PolarHBondContact O-NH1 3.09Å; E116-R194 PolarHBondContact O-NH2 3.08Å
117P98.5Very high95.8Very high25 Ų2579.3 Ų79.316%0.16238%0.375CS..  trans-81.555.3-164.635.3-37.8000112.8Y112 I115 W182Y112-P117 HydrophobicContact CD1-CG 4.04Å; Y112-P117 HydrophobicContact CD2-CB 4.26Å; Y112-P117 HydrophobicContact CD2-CG 4.21Å; Y112-P117 HydrophobicContact CE1-CB 4.17Å; Y112-P117 HydrophobicContact CE1-CG 3.58Å; Y112-P117 HydrophobicContact CE2-CB 3.52Å; Y112-P117 HydrophobicContact CE2-CG 3.76Å; Y112-P117 HydrophobicContact CG-CG 4.35Å; Y112-P117 VanDerWaalsContact CZ-CB 3.48Å; Y112-P117 VanDerWaalsContact CZ-CG 3.43Å; Y112-P117 WeakPolarHBondContact O-CD 3.3Å; Y112-P117 WeakPolarHBondContact O-CG 3.43Å; I115-P117 HydrophobicContact CD1-CB 4.25Å; I115-P117 HydrophobicContact CG1-CB 4.28Å; P117-W182 VanDerWaalsContact C-CZ2 3.44Å; P117-W182 WeakPolarHBondContact O-CZ2 3.45Å; P117-W182 PolarHBondContact O-NE1 2.94Å
118Y98.5Very high95.3Very high119 Ų11979.3 Ų79.347%0.46738%0.376SS..SBendtrans-142.3162.3177.950-95.6000110.2E116 K120 W182 R194E116-Y118 HydrophobicContact CB-CD1 4.46Å; E116-Y118 HydrophobicContact CB-CE1 3.74Å; E116-Y118 HydrophobicContact CB-CE2 4.42Å; E116-Y118 HydrophobicContact CG-CE1 4.31Å; E116-Y118 PolarHBondContact O-N 2.97Å; E116-Y118 PolarHBondContact OE1-OH 3.24Å; Y118-K120 HydrophobicContact CD2-CG 3.88Å; Y118-K120 HydrophobicContact CE2-CD 4.02Å; Y118-K120 HydrophobicContact CE2-CG 3.69Å; Y118-K120 PolarHBondContact O-N 2.92Å; Y118-W182 VanDerWaalsContact C-CH2 3.4Å; Y118-W182 VanDerWaalsContact C-CZ3 3.46Å; Y118-R194 PolarHBondContact O-NH2 3.44Å
119L97.2Very high94.9Very high61 Ų6184.8 Ų84.832%0.31940%0.404SS..  trans-67.4127.2-178.7-176.765.7000110.6K121 Y134 W182 R187 D188L119-K121 HydrophobicContact CD2-CD 4.47Å; L119-K121 HydrophobicContact CG-CG 4.28Å; L119-Y134 HydrophobicContact CD2-CD2 3.93Å; L119-Y134 HydrophobicContact CD2-CE2 3.73Å; L119-W182 HydrophobicContact CB-CH2 4.17Å; L119-W182 HydrophobicContact CB-CZ3 3.74Å; L119-W182 HydrophobicContact CD1-CZ3 4.13Å; L119-R187 HydrophobicContact CD1-CB 3.75Å; L119-R187 WeakPolarHBondContact CD1-O 3.24Å; L119-R187 HydrophobicContact CD2-CB 4.49Å; L119-D188 HydrophobicContact CD1-CB 4.02Å
120K95.2Very high94.6Very high38 Ų3883.3 Ų83.317%0.16542%0.421CS..  trans-118.8126.1174.6-62.7177.968.3175.50109.9E116 Y118 D188 D189 Y190E116-K120 IonicContact OE1-NZ 3.49Å; E116-K120 IonicContact OE2-NZ 3.75Å; E116-K120 PolarHBondContact OE2-NZ 2.91Å; Y118-K120 HydrophobicContact CD2-CG 3.88Å; Y118-K120 HydrophobicContact CE2-CD 4.02Å; Y118-K120 HydrophobicContact CE2-CG 3.69Å; Y118-K120 PolarHBondContact O-N 2.92Å; K120-D188 PolarHBondContact N-OD2 2.84Å; K120-D189 PolarHBondContact O-N 2.89Å; K120-Y190 HydrophobicContact CB-CD2 3.31Å; K120-Y190 HydrophobicContact CB-CE2 3.78Å; K120-Y190 HydrophobicContact CB-CG 3.76Å; K120-Y190 HydrophobicContact CD-CD1 4.37Å; K120-Y190 HydrophobicContact CD-CG 4.18Å; K120-Y190 HydrophobicContact CG-CD2 4.5Å
121K92.7Very high94.3Very high36 Ų3687.3 Ų87.316%0.15743%0.431CS..  trans-123.9146177.7-65.5-161.568.8158.90111.4L119 V124 Y134 R187 D189 T247L119-K121 HydrophobicContact CD2-CD 4.47Å; L119-K121 HydrophobicContact CG-CG 4.28Å; K121-V124 HydrophobicContact CB-CB 4.48Å; K121-V124 HydrophobicContact CB-CG2 3.59Å; K121-V124 HydrophobicContact CD-CG2 4.31Å; K121-Y134 HydrophobicContact CD-CD1 4.38Å; K121-Y134 HydrophobicContact CD-CD2 4.11Å; K121-Y134 HydrophobicContact CD-CE1 3.83Å; K121-Y134 HydrophobicContact CD-CE2 3.52Å; K121-R187 WeakPolarHBondContact CG-O 3.32Å; K121-D189 VanDerWaalsContact CA-OD2 3.26Å; K121-D189 WeakPolarHBondContact CA-OD2 3.35Å; K121-D189 WeakPolarHBondContact CB-OD2 3.4Å; K121-T247 VanDerWaalsContact CE-CG2 3.48Å
122K91.6Very high93.9Very high70 Ų7093.3 Ų93.330%0.30446%0.456SS..SBendtrans-90.9146.6175.3-69.2173.8176.4157.30108.9V124 D189 Y190 E193K122-V124 VanDerWaalsContact C-N 3.34Å; K122-V124 PolarHBondContact O-N 3.14Å; K122-D189 HydrophobicContact CB-CB 4.24Å; K122-D189 HydrophobicContact CD-CB 4.16Å; K122-D189 WeakPolarHBondContact CE-O 3.38Å; K122-D189 HydrophobicContact CG-CB 3.95Å; K122-D189 PolarHBondContact N-OD2 3.09Å; K122-D189 PolarHBondContact NZ-O 3.19Å; K122-Y190 HydrophobicContact CD-CE2 4.47Å; K122-Y190 HydrophobicContact CG-CD2 4.27Å; K122-Y190 HydrophobicContact CG-CE2 3.6Å; K122-E193 VanDerWaalsContact CE-OE1 3.23Å; K122-E193 WeakPolarHBondContact CE-OE1 3.29Å; K122-E193 IonicContact NZ-OE1 3.64Å; K122-E193 PolarHBondContact NZ-OE1 2.72Å; K122-E193 IonicContact NZ-OE2 2.7Å; K122-E193 PolarHBondContact NZ-OE2 3.02Å
123N89.4Confident93.6Very high166 Ų16696 Ų9689%0.88848%0.479SS*.SBendtrans56.243.3175-45.4-38.4000113.5
124V88.4Confident93.4Very high50 Ų5091.2 Ų91.230%0.30346%0.461SS..  trans-113.6120.9171.5176.70000107.6K121 K122 I129K121-V124 HydrophobicContact CB-CB 4.48Å; K121-V124 HydrophobicContact CB-CG2 3.59Å; K121-V124 HydrophobicContact CD-CG2 4.31Å; K122-V124 VanDerWaalsContact C-N 3.34Å; K122-V124 PolarHBondContact O-N 3.14Å; V124-I129 HydrophobicContact CG1-CG1 4.19Å
125D90.9Very high93.1Very high112 Ų11291.8 Ų91.860%0.59946%0.461SS*.  trans-78.5146.1173.3-65.4-34.3000109.8E127 D128D125-E127 PolarHBondContact O-N 3.38Å; D125-E127 VanDerWaalsContact O-N 3.15Å; D125-D128 PolarHBondContact O-N 3.05Å
126E91.3Very high93.1Very high178 Ų17893.2 Ų93.283%0.83247%0.467SS*.G310 helixtrans-56-34.3-179.8-74.5-171164.200112.1D128 I129E126-D128 PolarHBondContact O-N 3.28Å; E126-I129 WeakPolarHBondContact O-CB 3.26Å; E126-I129 PolarHBondContact O-N 3.04Å
127E93.1Very high92.9Very high161 Ų16190.6 Ų90.675%0.75246%0.457SS*.G310 helixtrans-64.2-23.1178-62.3-175.5-17500113.3D125 K131D125-E127 PolarHBondContact O-N 3.38Å; D125-E127 VanDerWaalsContact O-N 3.15Å; E127-K131 VanDerWaalsContact C-NZ 3.32Å; E127-K131 WeakPolarHBondContact O-CE 3.34Å; E127-K131 PolarHBondContact O-NZ 3.04Å
128D88Confident92.9Very high76 Ų7695 Ų9541%0.40648%0.484SS..G310 helixtrans-87.7-11.9-179.1-70.8-29.6000113.4D125 E126 G130 K131D125-D128 PolarHBondContact O-N 3.05Å; E126-D128 PolarHBondContact O-N 3.28Å; D128-G130 PolarHBondContact O-N 3.06Å; D128-K131 PolarHBondContact O-N 3.47Å; D128-K131 IonicContact OD1-NZ 2.7Å; D128-K131 PolarHBondContact OD1-NZ 2.93Å
129I91Very high92.8Very high116 Ų11695.8 Ų95.860%0.59549%0.491SS*.THydrogen-bonded Turntrans-63.9122.4178.9-60177.7000109.5V124 E126 K131V124-I129 HydrophobicContact CG1-CG1 4.19Å; E126-I129 WeakPolarHBondContact O-CB 3.26Å; E126-I129 PolarHBondContact O-N 3.04Å; I129-K131 VanDerWaalsContact C-N 3.34Å; I129-K131 PolarHBondContact O-N 3.2Å
130G92.7Very high92.8Very high76 Ų7693.9 Ų93.978%0.78448%0.481SS*.THydrogen-bonded Turntrans85.4-5.3178.200000115.3D128D128-G130 PolarHBondContact O-N 3.06Å
131K92.4Very high92.9Very high126 Ų12696.1 Ų96.155%0.54849%0.489SS..THydrogen-bonded Turntrans-67.9-34.2176.4-71-171.2178130.40113.1E127 D128 I129E127-K131 VanDerWaalsContact C-NZ 3.32Å; E127-K131 WeakPolarHBondContact O-CE 3.34Å; E127-K131 PolarHBondContact O-NZ 3.04Å; D128-K131 PolarHBondContact O-N 3.47Å; D128-K131 IonicContact OD1-NZ 2.7Å; D128-K131 PolarHBondContact OD1-NZ 2.93Å; I129-K131 VanDerWaalsContact C-N 3.34Å; I129-K131 PolarHBondContact O-N 3.2Å
132K90.4Very high93.2Very high138 Ų13896.8 Ų96.860%0.650%0.501SS*.SBendtrans-146.3158.3-178.2-65.4-171.9174.8-165.80111.7
133T92.9Very high93.5Very high109 Ų10998.8 Ų98.867%0.66951%0.51SS*.PPolyproline II helixtrans-79.2145.5169.453.90000110.6
134Y92.5Very high93.9Very high76 Ų7691 Ų9130%0.29847%0.468SS..BIsolated β-bridgetrans-77.7137.1170.5-62.8-47.4000110.3L119 K121L119-Y134 HydrophobicContact CD2-CD2 3.93Å; L119-Y134 HydrophobicContact CD2-CE2 3.73Å; K121-Y134 HydrophobicContact CD-CD1 4.38Å; K121-Y134 HydrophobicContact CD-CD2 4.11Å; K121-Y134 HydrophobicContact CD-CE1 3.83Å; K121-Y134 HydrophobicContact CD-CE2 3.52Å
135Y92.8Very high94.4Very high110 Ų11092.8 Ų92.843%0.43148%0.476SS..PPolyproline II helixtrans-66.1138.3171.2-180-99.6000109.8R248 V250Y135-R248 WeakPolarHBondContact CB-O 3.41Å; Y135-R248 HydrophobicContact CD1-CB 4.06Å; Y135-R248 HydrophobicContact CG-CB 4.3Å; Y135-R248 PolarHBondContact N-O 2.72Å; Y135-V250 HydrophobicContact CD2-CG2 3.93Å; Y135-V250 HydrophobicContact CG-CG2 4.42Å
136Q96.1Very high94.8Very high42 Ų4288.8 Ų88.820%0.19646%0.461CS..  trans-147.3124.7168.8179.3164.970.100107D140 R141 D185 S186 R187Q136-D140 HydrophobicContact CG-CB 3.88Å; Q136-R141 HydrophobicContact CG-CB 4.06Å; Q136-D185 PolarHBondContact NE2-OD1 3.26Å; Q136-S186 PolarHBondContact NE2-OG 3.34Å; Q136-S186 VanDerWaalsContact NE2-OG 3.14Å; Q136-R187 HydrophobicContact CB-CG 4.47Å
137S95.9Very high95.1Very high18 Ų1881 Ų8113%0.12643%0.425CS..  trans-65.8159.3175.168.90000110.7E139 D140 R141S137-E139 WeakPolarHBondContact CB-OE2 3.19Å; S137-E139 PolarHBondContact O-N 3.01Å; S137-D140 PolarHBondContact O-N 3.31Å; S137-D140 WeakPolarHBondContact OG-CB 3.39Å; S137-D140 PolarHBondContact OG-N 3.2Å; S137-D140 PolarHBondContact OG-OD2 3.22Å; S137-R141 PolarHBondContact O-N 2.94Å
138V97.8Very high95.4Very high118 Ų11878.8 Ų78.872%0.71541%0.411SS*.Hα-helixtrans-61-38.2175.6175.80000109.7R141 A142V138-R141 PolarHBondContact O-N 2.96Å; V138-A142 WeakPolarHBondContact O-CB 3.49Å; V138-A142 PolarHBondContact O-N 2.67Å
139E97.5Very high95.9Very high135 Ų13577.8 Ų77.863%0.63140%0.403SS*.Hα-helixtrans-64.3-40.7178.4-61.872.6-159.500112S137S137-E139 WeakPolarHBondContact CB-OE2 3.19Å; S137-E139 PolarHBondContact O-N 3.01Å
140D96.4Very high96.3Very high21 Ų2173.6 Ų73.611%0.11238%0.384CS..Hα-helixtrans-71.6-39.7175.6-71.4-44.2000112.4Q136 S137 A142 K143 S186Q136-D140 HydrophobicContact CG-CB 3.88Å; S137-D140 PolarHBondContact O-N 3.31Å; S137-D140 WeakPolarHBondContact OG-CB 3.39Å; S137-D140 PolarHBondContact OG-N 3.2Å; S137-D140 PolarHBondContact OG-OD2 3.22Å; D140-A142 VanDerWaalsContact C-N 3.29Å; D140-A142 PolarHBondContact O-N 3.2Å; D140-K143 WeakPolarHBondContact O-CB 3.45Å; D140-K143 PolarHBondContact O-N 3.34Å; D140-K143 IonicContact OD1-NZ 2.69Å; D140-K143 PolarHBondContact OD1-NZ 2.94Å; D140-S186 WeakPolarHBondContact CB-OG 3.26Å
141R97.8Very high96.6Very high84 Ų8471.1 Ų71.132%0.31735%0.353SS..Hα-helixtrans-61.9-40.3175.5173.356.6-170.973.45.7110.9Q136 S137 V138 K143 L144 D145Q136-R141 HydrophobicContact CG-CB 4.06Å; S137-R141 PolarHBondContact O-N 2.94Å; V138-R141 PolarHBondContact O-N 2.96Å; R141-K143 PolarHBondContact O-N 3.26Å; R141-L144 WeakPolarHBondContact O-CB 3.26Å; R141-L144 PolarHBondContact O-N 2.87Å; R141-D145 IonicContact CZ-OD1 3.69Å; R141-D145 IonicContact NH1-OD1 2.79Å; R141-D145 PolarHBondContact NH1-OD1 3.26Å; R141-D145 IonicContact NH2-OD1 3.6Å; R141-D145 PolarHBondContact NH2-OD1 3.24Å
142A98.2Very high96.9Very high50 Ų5067.2 Ų67.241%0.41334%0.338SS..Hα-helixtrans-60.8-26.6-18000000113.1V138 D140 L144 D145V138-A142 WeakPolarHBondContact O-CB 3.49Å; V138-A142 PolarHBondContact O-N 2.67Å; D140-A142 VanDerWaalsContact C-N 3.29Å; D140-A142 PolarHBondContact O-N 3.2Å; A142-L144 PolarHBondContact O-N 3.29Å; A142-L144 VanDerWaalsContact O-N 3.12Å; A142-D145 PolarHBondContact O-N 3.3Å; A142-D145 VanDerWaalsContact O-N 3.13Å
143K98.1Very high97.3Very high112 Ų11261.2 Ų61.249%0.48731%0.313SS..THydrogen-bonded Turntrans-62.5-17.6174.2-62.4169.7-173.3164.30113.4D140 R141 L147 V184D140-K143 WeakPolarHBondContact O-CB 3.45Å; D140-K143 PolarHBondContact O-N 3.34Å; D140-K143 IonicContact OD1-NZ 2.69Å; D140-K143 PolarHBondContact OD1-NZ 2.94Å; R141-K143 PolarHBondContact O-N 3.26Å; K143-L147 WeakPolarHBondContact O-CD1 3.29Å; K143-V184 HydrophobicContact CB-CG2 4.44Å
144L98.7Very high97.6Very high4 Ų456.1 Ų56.12%0.02128%0.282CS..THydrogen-bonded Turntrans-87.8-17.8179.2-54.4-176.6000112.9R141 A142 L147 Y148 V184 D185R141-L144 WeakPolarHBondContact O-CB 3.26Å; R141-L144 PolarHBondContact O-N 2.87Å; A142-L144 PolarHBondContact O-N 3.29Å; A142-L144 VanDerWaalsContact O-N 3.12Å; L144-L147 WeakPolarHBondContact O-CA 3.15Å; L144-L147 VanDerWaalsContact O-CB 3.28Å; L144-L147 WeakPolarHBondContact O-CB 3.49Å; L144-L147 PolarHBondContact O-N 3.29Å; L144-Y148 HydrophobicContact CB-CD1 4.36Å; L144-Y148 VanDerWaalsContact O-CD1 3.31Å; L144-Y148 WeakPolarHBondContact O-CD1 3.08Å; L144-Y148 PolarHBondContact O-N 3.27Å; L144-V184 HydrophobicContact CD2-CG2 4.23Å; L144-D185 HydrophobicContact CD2-CB 4.15Å
145D98.7Very high97.9Very high87 Ų8752.5 Ų52.547%0.46527%0.267SS..THydrogen-bonded Turntrans-64.7136.1178-64.6-24.1000110.3R141 A142 L147 Y148R141-D145 IonicContact CZ-OD1 3.69Å; R141-D145 IonicContact NH1-OD1 2.79Å; R141-D145 PolarHBondContact NH1-OD1 3.26Å; R141-D145 IonicContact NH2-OD1 3.6Å; R141-D145 PolarHBondContact NH2-OD1 3.24Å; A142-D145 PolarHBondContact O-N 3.3Å; A142-D145 VanDerWaalsContact O-N 3.13Å; D145-L147 VanDerWaalsContact C-N 3.26Å; D145-Y148 WeakPolarHBondContact OD1-CE1 3.35Å
146G98.4Very high98.2Very high28 Ų2847.7 Ų47.729%0.28925%0.25SS..THydrogen-bonded Turntrans80.80.4-169.700000114.7E149G146-E149 VanDerWaalsContact C-OE2 3.29Å; G146-E149 VanDerWaalsContact CA-OE2 3.27Å; G146-E149 WeakPolarHBondContact CA-OE2 3.44Å; G146-E149 VanDerWaalsContact N-CD 3.28Å; G146-E149 PolarHBondContact N-OE1 3.25Å; G146-E149 PolarHBondContact N-OE2 3.06Å
147L98.8Very high98.3Very high13 Ų1345.7 Ų45.77%0.06824%0.241CC..THydrogen-bonded Turntrans-116.5-50.6177.6-50.2-179.8000112.6K143 L144 D145 E149 C150 L177 Q178 Y180 R181 V184 A226K143-L147 WeakPolarHBondContact O-CD1 3.29Å; L144-L147 WeakPolarHBondContact O-CA 3.15Å; L144-L147 VanDerWaalsContact O-CB 3.28Å; L144-L147 WeakPolarHBondContact O-CB 3.49Å; L144-L147 PolarHBondContact O-N 3.29Å; D145-L147 VanDerWaalsContact C-N 3.26Å; L147-E149 VanDerWaalsContact C-N 3.26Å; L147-E149 PolarHBondContact N-OE2 2.98Å; L147-E149 PolarHBondContact O-N 3.28Å; L147-C150 PolarHBondContact O-N 2.79Å; L147-L177 HydrophobicContact CB-CD2 4.49Å; L147-L177 HydrophobicContact CD2-CG 4.15Å; L147-L177 VanDerWaalsContact O-CD2 3.29Å; L147-L177 WeakPolarHBondContact O-CD2 3.35Å; L147-Q178 PolarHBondContact O-NE2 3.33Å; L147-Y180 HydrophobicContact CD1-CD1 3.63Å; L147-Y180 HydrophobicContact CD1-CE1 3.91Å; L147-Y180 HydrophobicContact CD2-CD1 3.84Å; L147-Y180 HydrophobicContact CD2-CE1 4.35Å; L147-Y180 HydrophobicContact CG-CD1 4.43Å; L147-R181 HydrophobicContact CB-CB 3.91Å; L147-R181 HydrophobicContact CB-CG 4.07Å; L147-R181 HydrophobicContact CD1-CB 4.3Å; L147-V184 HydrophobicContact CD1-CG2 3.94Å; L147-A226 HydrophobicContact CD2-CB 4.31Å
148Y98.6Very high98.5Very high116 Ų11644.9 Ų44.946%0.45524%0.235SC..THydrogen-bonded Turntrans-73.9-17.1-17479.6-88.8000113.3L144 D145 C150L144-Y148 HydrophobicContact CB-CD1 4.36Å; L144-Y148 VanDerWaalsContact O-CD1 3.31Å; L144-Y148 WeakPolarHBondContact O-CD1 3.08Å; L144-Y148 PolarHBondContact O-N 3.27Å; D145-Y148 WeakPolarHBondContact OD1-CE1 3.35Å; Y148-C150 PolarHBondContact O-N 3.05Å
149E98.8Very high98.5Very high54 Ų5439.7 Ų39.725%0.25220%0.204SC..THydrogen-bonded Turntrans-75.7-2.5-179.6-55.689.7152.600113G146 L147 I151 L221G146-E149 VanDerWaalsContact C-OE2 3.29Å; G146-E149 VanDerWaalsContact CA-OE2 3.27Å; G146-E149 WeakPolarHBondContact CA-OE2 3.44Å; G146-E149 VanDerWaalsContact N-CD 3.28Å; G146-E149 PolarHBondContact N-OE1 3.25Å; G146-E149 PolarHBondContact N-OE2 3.06Å; L147-E149 VanDerWaalsContact C-N 3.26Å; L147-E149 PolarHBondContact N-OE2 2.98Å; L147-E149 PolarHBondContact O-N 3.28Å; E149-I151 PolarHBondContact O-N 3.12Å; E149-L221 HydrophobicContact CB-CD1 4.5Å; E149-L221 HydrophobicContact CB-CD2 4.08Å
150C98.9Very high98.6Very high28 Ų2833.7 Ų33.719%0.18918%0.177CC..  trans-62121.6175.5-1770000111L147 Y148 L177 Q178 L221L147-C150 PolarHBondContact O-N 2.79Å; Y148-C150 PolarHBondContact O-N 3.05Å; C150-L177 HydrophobicContact CB-CD2 3.82Å; C150-Q178 VanDerWaalsContact CB-NE2 3.34Å; C150-L221 HydrophobicContact CB-CD1 3.91Å
151I98.9Very high98.7Very high25 Ų2534 Ų3413%0.12818%0.18CC..  trans-93.713.1-177.865.2173.5000113.8I59 L73 E149 C153 K219I59-I151 HydrophobicContact CD1-CG2 4.21Å; I59-I151 WeakPolarHBondContact O-CB 3.36Å; I59-I151 WeakPolarHBondContact O-CG2 3.23Å; L73-I151 HydrophobicContact CD1-CD1 3.59Å; L73-I151 HydrophobicContact CD2-CD1 4.34Å; E149-I151 PolarHBondContact O-N 3.12Å; I151-C153 HydrophobicContact CD1-CB 4.04Å; I151-C153 HydrophobicContact CG1-CB 3.89Å; I151-C153 PolarHBondContact O-N 3.37Å; I151-K219 HydrophobicContact CD1-CD 4.3Å; I151-K219 HydrophobicContact CD1-CG 4.15Å; I151-K219 HydrophobicContact CG1-CG 4.24Å; I151-K219 HydrophobicContact CG2-CD 4.3Å; I151-K219 HydrophobicContact CG2-CG 4.22Å
152L98.8Very high98.7Very high44 Ų4430.5 Ų30.523%0.2317%0.168CC..  trans50.834.2-179.4-62.8176.6000115F108 Y112 A154 Q178F108-L152 HydrophobicContact CE1-CB 4.27Å; F108-L152 HydrophobicContact CE1-CD2 4.49Å; F108-L152 HydrophobicContact CZ-CD2 4.38Å; Y112-L152 HydrophobicContact CD1-CD1 4.07Å; Y112-L152 HydrophobicContact CD2-CD2 4.06Å; Y112-L152 HydrophobicContact CE1-CD1 3.75Å; Y112-L152 HydrophobicContact CE2-CD1 4.3Å; Y112-L152 HydrophobicContact CE2-CD2 4.08Å; Y112-L152 HydrophobicContact CG-CD1 4.47Å; Y112-L152 HydrophobicContact CG-CD2 4.43Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 3.46Å; L152-Q178 HydrophobicContact CD2-CG 4.26Å
153C98.8Very high98.7Very high12 Ų1228.6 Ų28.68%0.08115%0.15CC..  trans-75.2-10.5-179.666.50000114.9A64 L73 I151 C155A64-C153 HydrophobicContact CB-CB 4.03Å; A64-C153 WeakPolarHBondContact CB-O 3.17Å; L73-C153 HydrophobicContact CD2-CB 3.84Å; I151-C153 HydrophobicContact CD1-CB 4.04Å; I151-C153 HydrophobicContact CG1-CB 3.89Å; I151-C153 PolarHBondContact O-N 3.37Å; C153-C155 PolarHBondContact O-N 3.18Å
154A98.9Very high98.7Very high1 Ų127 Ų271%0.00814%0.142CC..  trans62.3-0-177.300000117.8L92 M105 F108 L152 C156 S157 T158L92-A154 HydrophobicContact CD1-CB 4.23Å; M105-A154 HydrophobicContact CE-CB 3.36Å; M105-A154 HydrophobicContact SD-CB 4.46Å; F108-A154 HydrophobicContact CD1-CB 4.28Å; F108-A154 HydrophobicContact CD2-CB 3.8Å; F108-A154 HydrophobicContact CE1-CB 4.09Å; F108-A154 HydrophobicContact CE2-CB 3.56Å; F108-A154 HydrophobicContact CG-CB 4.15Å; F108-A154 HydrophobicContact CZ-CB 3.73Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 3.46Å; A154-C156 PolarHBondContact O-N 3.49Å; A154-C156 VanDerWaalsContact O-N 3.09Å; A154-S157 PolarHBondContact O-N 3.34Å; A154-T158 HydrophobicContact CB-CG2 4.38Å; A154-T158 PolarHBondContact O-N 2.84Å; A154-T158 PolarHBondContact O-OG1 3.08Å; A154-T158 VanDerWaalsContact O-OG1 3.08Å
155C98.9Very high98.7Very high0 Ų036 Ų360%018%0.175CC..THydrogen-bonded Turntrans-47-44.7177.2-71.90000113N71 C153 T158 S159 T216N71-C155 HydrophobicContact CB-CB 3.81Å; N71-C155 PolarHBondContact ND2-O 3.03Å; C153-C155 PolarHBondContact O-N 3.18Å; C155-T158 PolarHBondContact O-OG1 3.03Å; C155-S159 WeakPolarHBondContact O-CB 3.35Å; C155-S159 PolarHBondContact O-N 3.01Å; C155-S159 PolarHBondContact O-OG 3.06Å; C155-T216 HydrophobicContact CB-CG2 4.19Å; C155-T216 WeakPolarHBondContact O-CG2 3.44Å
156C98.9Very high98.7Very high10 Ų1033.7 Ų33.77%0.06816%0.163CC..THydrogen-bonded Turntrans-69.8-37-179.459.20000113.4A154 S159 P173 C213 T216 P223A154-C156 PolarHBondContact O-N 3.49Å; A154-C156 VanDerWaalsContact O-N 3.09Å; C156-S159 PolarHBondContact O-OG 3.22Å; C156-P173 VanDerWaalsContact C-CG 3.43Å; C156-P173 HydrophobicContact CB-CB 4.44Å; C156-P173 HydrophobicContact CB-CG 4.09Å; C156-P173 WeakPolarHBondContact O-CG 3.05Å; C156-C213 HydrophobicContact CB-CB 3.86Å; C156-C213 VanDerWaalsContact CB-O 3.26Å; C156-C213 WeakPolarHBondContact CB-O 3.48Å; C156-T216 HydrophobicContact CB-CG2 4.32Å; C156-P223 HydrophobicContact CB-CG 4.32Å
157S98.9Very high98.6Very high0 Ų032.9 Ų32.90%016%0.155CC..THydrogen-bonded Turntrans-72.1-44.1177.9-67.90000110.7A154 S159 C160 Y163 P173 A174A154-S157 PolarHBondContact O-N 3.34Å; S157-S159 PolarHBondContact O-N 3.11Å; S157-C160 WeakPolarHBondContact O-CB 3.45Å; S157-C160 PolarHBondContact O-N 3.07Å; S157-C160 VanDerWaalsContact O-N 3.14Å; S157-Y163 WeakPolarHBondContact O-CB 3.28Å; S157-Y163 WeakPolarHBondContact O-CD1 3.34Å; S157-P173 WeakPolarHBondContact OG-CD 3.31Å; S157-A174 PolarHBondContact OG-N 3.19Å
158T98.8Very high98.4Very high0 Ų037.3 Ų37.30%018%0.178CC..THydrogen-bonded Turntrans-79.92.1179.262.70000113.2N71 L92 P93 M95 A154 C155 W164N71-T158 PolarHBondContact ND2-O 3.25Å; N71-T158 VanDerWaalsContact ND2-O 3.15Å; N71-T158 PolarHBondContact ND2-OG1 3.13Å; L92-T158 HydrophobicContact CB-CG2 3.98Å; L92-T158 HydrophobicContact CD1-CG2 4.16Å; L92-T158 WeakPolarHBondContact CD2-OG1 3.38Å; P93-T158 WeakPolarHBondContact CD-O 3.22Å; M95-T158 HydrophobicContact CE-CG2 4.3Å; M95-T158 HydrophobicContact CG-CG2 3.8Å; M95-T158 HydrophobicContact SD-CG2 3.77Å; A154-T158 HydrophobicContact CB-CG2 4.38Å; A154-T158 PolarHBondContact O-N 2.84Å; A154-T158 PolarHBondContact O-OG1 3.08Å; A154-T158 VanDerWaalsContact O-OG1 3.08Å; C155-T158 PolarHBondContact O-OG1 3.03Å; T158-W164 PolarHBondContact O-NE1 3.14Å
159S98.8Very high98.3Very high9 Ų936.4 Ų36.46%0.06318%0.177CC..THydrogen-bonded Turntrans-98.8-8.6165.873.10000113N71 C155 C156 S157 P161 N212 T216N71-S159 PolarHBondContact ND2-N 3.1Å; C155-S159 WeakPolarHBondContact O-CB 3.35Å; C155-S159 PolarHBondContact O-N 3.01Å; C155-S159 PolarHBondContact O-OG 3.06Å; C156-S159 PolarHBondContact O-OG 3.22Å; S157-S159 PolarHBondContact O-N 3.11Å; S159-P161 WeakPolarHBondContact O-CD 3.31Å; S159-N212 VanDerWaalsContact O-CB 3.29Å; S159-N212 WeakPolarHBondContact O-CB 3.49Å; S159-N212 PolarHBondContact O-ND2 2.98Å; S159-N212 PolarHBondContact OG-O 2.92Å; S159-N212 VanDerWaalsContact OG-O 3.05Å; S159-T216 VanDerWaalsContact OG-CG2 3.26Å; S159-T216 WeakPolarHBondContact OG-CG2 3.38Å
160C98.8Very high98.3Very high10 Ų1033.9 Ų33.97%0.06817%0.165CC..  trans-89.7115.5-174.2-176.70000110.8S157 S162 Y163 W164 P173S157-C160 WeakPolarHBondContact O-CB 3.45Å; S157-C160 PolarHBondContact O-N 3.07Å; S157-C160 VanDerWaalsContact O-N 3.14Å; C160-S162 VanDerWaalsContact C-N 3.27Å; C160-S162 PolarHBondContact O-N 3.23Å; C160-Y163 WeakPolarHBondContact O-CA 3.26Å; C160-Y163 WeakPolarHBondContact O-CB 3.31Å; C160-Y163 PolarHBondContact O-N 3.45Å; C160-W164 PolarHBondContact O-N 2.72Å; C160-W164 VanDerWaalsContact O-N 3.13Å; C160-P173 HydrophobicContact CB-CG 4.35Å
161P98.6Very high98.3Very high28 Ų2832.9 Ų32.918%0.18216%0.158CC..Hα-helixtrans-57.7-37178.5-27.436.7000113.5S159 Y163 W164 W165 I210S159-P161 WeakPolarHBondContact O-CD 3.31Å; P161-Y163 PolarHBondContact O-N 2.74Å; P161-W164 HydrophobicContact CB-CE3 4.13Å; P161-W164 HydrophobicContact CB-CZ3 4.45Å; P161-W164 HydrophobicContact CG-CE3 4.36Å; P161-W164 HydrophobicContact CG-CZ3 4.24Å; P161-W164 WeakPolarHBondContact O-CB 3.39Å; P161-W164 PolarHBondContact O-N 3.43Å; P161-W164 VanDerWaalsContact O-N 3.11Å; P161-W165 PolarHBondContact O-N 2.79Å; P161-W165 VanDerWaalsContact O-N 3.11Å; P161-I210 HydrophobicContact CB-CD1 4.06Å; P161-I210 HydrophobicContact CG-CD1 4.04Å; P161-I210 HydrophobicContact CG-CG2 4.29Å
162S98.4Very high98.3Very high9 Ų931.7 Ų31.76%0.06315%0.152CC..Hα-helixtrans-58.8-33.6175.5-63.10000113.1C160 N166 R206C160-S162 VanDerWaalsContact C-N 3.27Å; C160-S162 PolarHBondContact O-N 3.23Å; S162-N166 PolarHBondContact O-N 3.48Å; S162-N166 PolarHBondContact O-ND2 3.36Å; S162-R206 WeakPolarHBondContact CB-O 3.43Å; S162-R206 PolarHBondContact OG-O 3.26Å
163Y98.7Very high98.3Very high11 Ų1129.7 Ų29.74%0.04314%0.141CC..Hα-helixtrans-78.9-30.3177.5-169.1-97.5000112.1Q111 S157 C160 P161 W165 G167 Y170Q111-Y163 PolarHBondContact NE2-OH 2.62Å; S157-Y163 WeakPolarHBondContact O-CB 3.28Å; S157-Y163 WeakPolarHBondContact O-CD1 3.34Å; C160-Y163 WeakPolarHBondContact O-CA 3.26Å; C160-Y163 WeakPolarHBondContact O-CB 3.31Å; C160-Y163 PolarHBondContact O-N 3.45Å; P161-Y163 PolarHBondContact O-N 2.74Å; Y163-W165 VanDerWaalsContact C-N 3.34Å; Y163-G167 WeakPolarHBondContact O-CA 3.28Å; Y163-G167 PolarHBondContact O-N 3.01Å; Y163-Y170 HydrophobicContact CD2-CD1 4.05Å; Y163-Y170 VanDerWaalsContact CD2-O 3.24Å; Y163-Y170 WeakPolarHBondContact CD2-O 3.37Å; Y163-Y170 VanDerWaalsContact CE2-O 3.3Å; Y163-Y170 WeakPolarHBondContact CE2-O 3.35Å
164W98.5Very high98.3Very high79 Ų7929.1 Ų29.130%0.29914%0.137SC..Hα-helixtrans-59.2-48.8169.4-57.4-16.4000110.4P93 H94 T158 C160 P161P93-W164 HydrophobicContact CB-CZ2 4.07Å; H94-W164 HydrophobicContact CB-CB 3.92Å; H94-W164 HydrophobicContact CB-CD2 4.43Å; H94-W164 HydrophobicContact CB-CG 3.72Å; H94-W164 PolarHBondContact CE1-O 3.11Å; H94-W164 PolarHBondContact ND1-O 3.11Å; H94-W164 PolarHBondContact NE2-O 3.13Å; T158-W164 PolarHBondContact O-NE1 3.14Å; C160-W164 PolarHBondContact O-N 2.72Å; C160-W164 VanDerWaalsContact O-N 3.13Å; P161-W164 HydrophobicContact CB-CE3 4.13Å; P161-W164 HydrophobicContact CB-CZ3 4.45Å; P161-W164 HydrophobicContact CG-CE3 4.36Å; P161-W164 HydrophobicContact CG-CZ3 4.24Å; P161-W164 WeakPolarHBondContact O-CB 3.39Å; P161-W164 PolarHBondContact O-N 3.43Å; P161-W164 VanDerWaalsContact O-N 3.11Å
165W98Very high98.3Very high191 Ų19129.1 Ų29.172%0.72314%0.137SC*.Hα-helixtrans-78.2-26.5-175.3-58.7119.4000115P161 Y163P161-W165 PolarHBondContact O-N 2.79Å; P161-W165 VanDerWaalsContact O-N 3.11Å; Y163-W165 VanDerWaalsContact C-N 3.34Å
166N97.8Very high98.3Very high40 Ų4029.1 Ų29.121%0.21414%0.137CC..Hα-helixtrans-138.428.3-171-53.4-92.8000113S162 D168 K169 Y170 R206S162-N166 PolarHBondContact O-N 3.48Å; S162-N166 PolarHBondContact O-ND2 3.36Å; N166-D168 WeakPolarHBondContact CA-OD1 3.35Å; N166-D168 PolarHBondContact O-N 3.34Å; N166-K169 PolarHBondContact O-N 3.35Å; N166-Y170 WeakPolarHBondContact O-CB 3.18Å; N166-Y170 PolarHBondContact O-N 2.81Å; N166-R206 HydrophobicContact CB-CG 4.48Å
167G97.3Very high98.3Very high11 Ų1128.7 Ų28.711%0.11313%0.134CC..THydrogen-bonded Turntrans-64.6-8.5-176.400000114.7N107 Q111 Y163N107-G167 PolarHBondContact ND2-O 3.02Å; Q111-G167 PolarHBondContact OE1-O 3.39Å; Y163-G167 WeakPolarHBondContact O-CA 3.28Å; Y163-G167 PolarHBondContact O-N 3.01Å
168D95Very high98.3Very high105 Ų10529.3 Ų29.356%0.56114%0.137SC*.THydrogen-bonded Turntrans-75.6-22.8170.563.2-46.4000113.2N166N166-D168 WeakPolarHBondContact CA-OD1 3.35Å; N166-D168 PolarHBondContact O-N 3.34Å
169K96.2Very high98.3Very high98 Ų9829.5 Ų29.543%0.42614%0.139SC..THydrogen-bonded Turntrans-131.1-34.8-175-62.4165.7-171.4162.10114.2N166 W202 S203N166-K169 PolarHBondContact O-N 3.35Å; K169-W202 HydrophobicContact CB-CB 3.74Å; K169-W202 HydrophobicContact CB-CG 4.18Å; K169-W202 HydrophobicContact CD-CD2 4.03Å; K169-W202 HydrophobicContact CD-CE3 4.28Å; K169-W202 HydrophobicContact CD-CG 4.14Å; K169-S203 WeakPolarHBondContact O-CA 3.29Å
170Y98.4Very high98.3Very high1 Ų131 Ų310%0.00414%0.143CC..  trans-82.9117.6176.8171.2-126.6000109.6Q111 Y163 N166 G172 L176 S203 R206 C207Q111-Y170 PolarHBondContact OE1-O 3.43Å; Y163-Y170 HydrophobicContact CD2-CD1 4.05Å; Y163-Y170 VanDerWaalsContact CD2-O 3.24Å; Y163-Y170 WeakPolarHBondContact CD2-O 3.37Å; Y163-Y170 VanDerWaalsContact CE2-O 3.3Å; Y163-Y170 WeakPolarHBondContact CE2-O 3.35Å; N166-Y170 WeakPolarHBondContact O-CB 3.18Å; N166-Y170 PolarHBondContact O-N 2.81Å; Y170-G172 PolarHBondContact O-N 3.26Å; Y170-G172 VanDerWaalsContact O-N 3.09Å; Y170-L176 HydrophobicContact CD2-CD1 4.43Å; Y170-L176 HydrophobicContact CE2-CD1 3.54Å; Y170-S203 WeakPolarHBondContact CD2-O 3.47Å; Y170-R206 HydrophobicContact CD1-CB 4.26Å; Y170-R206 HydrophobicContact CD2-CB 3.76Å; Y170-R206 HydrophobicContact CE2-CB 4.38Å; Y170-R206 HydrophobicContact CG-CB 3.69Å; Y170-R206 HydrophobicContact CG-CG 4.38Å; Y170-C207 HydrophobicContact CE2-CB 4.22Å
171L98.6Very high98.3Very high7 Ų732 Ų324%0.03715%0.146CC..  trans-60.9-26-173-64178.6000113.9Q111 F114 I115 V175 L176 F198 S203Q111-L171 HydrophobicContact CB-CD2 3.97Å; Q111-L171 HydrophobicContact CG-CD2 4Å; Q111-L171 VanDerWaalsContact OE1-CA 3.25Å; F114-L171 HydrophobicContact CD1-CD1 4.26Å; F114-L171 HydrophobicContact CD1-CD2 3.89Å; F114-L171 HydrophobicContact CE1-CD1 4.34Å; F114-L171 HydrophobicContact CE1-CD2 4.41Å; I115-L171 HydrophobicContact CG2-CD1 3.96Å; L171-V175 HydrophobicContact CB-CB 4.13Å; L171-V175 HydrophobicContact CB-CG1 3.95Å; L171-V175 HydrophobicContact CD1-CG1 4.34Å; L171-V175 HydrophobicContact CD2-CG1 4.48Å; L171-V175 HydrophobicContact CG-CG1 4.49Å; L171-V175 WeakPolarHBondContact O-CB 3.23Å; L171-V175 WeakPolarHBondContact O-CG2 3.29Å; L171-L176 HydrophobicContact CB-CD2 4.2Å; L171-L176 HydrophobicContact CB-CG 4.09Å; L171-L176 HydrophobicContact CD1-CD2 4.04Å; L171-F198 HydrophobicContact CD1-CD1 4.19Å; L171-F198 HydrophobicContact CD1-CE1 3.55Å; L171-S203 PolarHBondContact N-O 2.97Å
172G98.7Very high98.3Very high0 Ų031.8 Ų31.80%014%0.141CC..Hα-helixtrans81.9161.2-18000000114Y170 A174 V175 L176Y170-G172 PolarHBondContact O-N 3.26Å; Y170-G172 VanDerWaalsContact O-N 3.09Å; G172-A174 PolarHBondContact O-N 3.28Å; G172-V175 PolarHBondContact O-N 3.33Å; G172-L176 WeakPolarHBondContact O-CB 3.44Å; G172-L176 VanDerWaalsContact O-CG 3.31Å; G172-L176 WeakPolarHBondContact O-CG 3.47Å; G172-L176 PolarHBondContact O-N 3.47Å
173P98.9Very high98.2Very high1 Ų131.6 Ų31.61%0.00614%0.14CC..Hα-helixtrans-60.1-36.7-17422.8-35.3000114.9C156 S157 C160 L177 C213 P223 I227C156-P173 VanDerWaalsContact C-CG 3.43Å; C156-P173 HydrophobicContact CB-CB 4.44Å; C156-P173 HydrophobicContact CB-CG 4.09Å; C156-P173 WeakPolarHBondContact O-CG 3.05Å; S157-P173 WeakPolarHBondContact OG-CD 3.31Å; C160-P173 HydrophobicContact CB-CG 4.35Å; P173-L177 VanDerWaalsContact O-CB 3.29Å; P173-L177 WeakPolarHBondContact O-CB 3.28Å; P173-L177 PolarHBondContact O-N 3.18Å; P173-C213 HydrophobicContact CB-CB 3.54Å; P173-C213 HydrophobicContact CG-CB 3.6Å; P173-P223 HydrophobicContact CB-CB 3.61Å; P173-P223 HydrophobicContact CB-CG 4.42Å; P173-I227 HydrophobicContact CB-CD1 4.03Å
174A98.9Very high98.1Very high1 Ų132.3 Ų32.31%0.00815%0.145CC..Hα-helixtrans-64.5-47.4-179.900000111.7F108 S157 G172 L177 Q178F108-A174 HydrophobicContact CE2-CB 3.62Å; F108-A174 HydrophobicContact CZ-CB 3.75Å; S157-A174 PolarHBondContact OG-N 3.19Å; G172-A174 PolarHBondContact O-N 3.28Å; A174-L177 PolarHBondContact O-N 3.5Å; A174-Q178 PolarHBondContact O-N 3.43Å
175V98.8Very high98.1Very high0 Ų028.7 Ų28.70%013%0.132CC..Hα-helixtrans-68.8-42.2-179.31770000109.8Q111 I115 L171 G172 L177 Q178 A179Q111-V175 HydrophobicContact CB-CG2 4.08Å; Q111-V175 WeakPolarHBondContact O-CG1 3.39Å; I115-V175 HydrophobicContact CB-CG1 4.44Å; I115-V175 HydrophobicContact CD1-CG1 3.95Å; I115-V175 WeakPolarHBondContact CD1-O 3.26Å; I115-V175 HydrophobicContact CG1-CG1 4.04Å; I115-V175 HydrophobicContact CG2-CG1 3.56Å; L171-V175 HydrophobicContact CB-CB 4.13Å; L171-V175 HydrophobicContact CB-CG1 3.95Å; L171-V175 HydrophobicContact CD1-CG1 4.34Å; L171-V175 HydrophobicContact CD2-CG1 4.48Å; L171-V175 HydrophobicContact CG-CG1 4.49Å; L171-V175 WeakPolarHBondContact O-CB 3.23Å; L171-V175 WeakPolarHBondContact O-CG2 3.29Å; G172-V175 PolarHBondContact O-N 3.33Å; V175-L177 PolarHBondContact O-N 3.47Å; V175-Q178 CarbonylContact O-C 3.51Å; V175-Q178 PolarHBondContact O-N 3Å; V175-Q178 VanDerWaalsContact O-N 3.12Å; V175-A179 PolarHBondContact O-N 3.24Å
176L98.8Very high98Very high0 Ų020.6 Ų20.60%010%0.104CC..Hα-helixtrans-67.6-33.7178.5-68.4169.7000113.1Y170 L171 G172 Q178 A179 Y180 F198 L204 I227 I230Y170-L176 HydrophobicContact CD2-CD1 4.43Å; Y170-L176 HydrophobicContact CE2-CD1 3.54Å; L171-L176 HydrophobicContact CB-CD2 4.2Å; L171-L176 HydrophobicContact CB-CG 4.09Å; L171-L176 HydrophobicContact CD1-CD2 4.04Å; G172-L176 WeakPolarHBondContact O-CB 3.44Å; G172-L176 VanDerWaalsContact O-CG 3.31Å; G172-L176 WeakPolarHBondContact O-CG 3.47Å; G172-L176 PolarHBondContact O-N 3.47Å; L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 PolarHBondContact O-N 3.39Å; L176-A179 PolarHBondContact O-N 3.49Å; L176-Y180 PolarHBondContact O-N 3.47Å; L176-F198 HydrophobicContact CD2-CE1 4.15Å; L176-F198 HydrophobicContact CD2-CZ 4.34Å; L176-L204 HydrophobicContact CD1-CD1 3.85Å; L176-L204 HydrophobicContact CD2-CD1 3.85Å; L176-L204 HydrophobicContact CG-CD1 4.4Å; L176-I227 HydrophobicContact CB-CD1 4.25Å; L176-I227 HydrophobicContact CB-CG1 3.68Å; L176-I227 HydrophobicContact CD1-CD1 4.03Å; L176-I227 HydrophobicContact CD1-CG1 3.93Å; L176-I227 HydrophobicContact CG-CG1 4.46Å; L176-I230 HydrophobicContact CB-CD1 4.3Å; L176-I230 HydrophobicContact CD2-CD1 4.46Å; L176-I230 VanDerWaalsContact O-CD1 3.23Å; L176-I230 WeakPolarHBondContact O-CD1 3.32Å
177L98.9Very high97.8Very high2 Ų222 Ų221%0.0111%0.106CC..Hα-helixtrans-61.5-42.1169.7176.7153.6000111L147 C150 P173 A174 V175 Y180 R181 L221 P223 A226L147-L177 HydrophobicContact CB-CD2 4.49Å; L147-L177 HydrophobicContact CD2-CG 4.15Å; L147-L177 VanDerWaalsContact O-CD2 3.29Å; L147-L177 WeakPolarHBondContact O-CD2 3.35Å; C150-L177 HydrophobicContact CB-CD2 3.82Å; P173-L177 VanDerWaalsContact O-CB 3.29Å; P173-L177 WeakPolarHBondContact O-CB 3.28Å; P173-L177 PolarHBondContact O-N 3.18Å; A174-L177 PolarHBondContact O-N 3.5Å; V175-L177 PolarHBondContact O-N 3.47Å; L177-Y180 PolarHBondContact O-N 3.32Å; L177-R181 PolarHBondContact O-N 2.98Å; L177-L221 HydrophobicContact CD1-CB 4.17Å; L177-L221 HydrophobicContact CD1-CD1 4.43Å; L177-P223 HydrophobicContact CB-CB 4.27Å; L177-P223 HydrophobicContact CD1-CB 4.1Å; L177-P223 HydrophobicContact CD1-CG 3.82Å; L177-A226 HydrophobicContact CB-CB 4.34Å; L177-A226 HydrophobicContact CG-CB 4.41Å
178Q98.9Very high97.8Very high12 Ų1221.8 Ų21.86%0.05610%0.103CC..Hα-helixtrans-70.4-33.2176.2-70.5-63.5-61.300113.1Y112 I115 L147 C150 L152 A174 V175 L176 R181 W182Y112-Q178 HydrophobicContact CD2-CB 4.28Å; Y112-Q178 HydrophobicContact CD2-CG 4.38Å; Y112-Q178 HydrophobicContact CE2-CB 3.83Å; Y112-Q178 HydrophobicContact CE2-CG 3.81Å; I115-Q178 HydrophobicContact CD1-CB 3.75Å; L147-Q178 PolarHBondContact O-NE2 3.33Å; C150-Q178 VanDerWaalsContact CB-NE2 3.34Å; L152-Q178 HydrophobicContact CD2-CG 4.26Å; A174-Q178 PolarHBondContact O-N 3.43Å; V175-Q178 CarbonylContact O-C 3.51Å; V175-Q178 PolarHBondContact O-N 3Å; V175-Q178 VanDerWaalsContact O-N 3.12Å; L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 PolarHBondContact O-N 3.39Å; Q178-R181 WeakPolarHBondContact O-CB 3.19Å; Q178-R181 PolarHBondContact O-N 3.36Å; Q178-W182 PolarHBondContact O-N 2.94Å
179A98.7Very high97.8Very high5 Ų517.4 Ų17.44%0.0418%0.08CC..Hα-helixtrans-62.2-46.317100000110.7I115 V175 L176 R181 W182 L183 F198 I230I115-A179 HydrophobicContact CB-CB 4.47Å; I115-A179 HydrophobicContact CD1-CB 4.11Å; I115-A179 HydrophobicContact CG2-CB 4.29Å; V175-A179 PolarHBondContact O-N 3.24Å; L176-A179 PolarHBondContact O-N 3.49Å; A179-R181 VanDerWaalsContact C-N 3.3Å; A179-R181 PolarHBondContact O-N 2.97Å; A179-W182 PolarHBondContact O-N 3Å; A179-W182 VanDerWaalsContact O-N 3.1Å; A179-L183 WeakPolarHBondContact O-CG 3.49Å; A179-L183 PolarHBondContact O-N 2.92Å; A179-F198 HydrophobicContact CB-CE2 3.94Å; A179-F198 HydrophobicContact CB-CZ 3.52Å; A179-I230 HydrophobicContact CB-CD1 4.49Å
180Y98.7Very high97.7Very high40 Ų4015.8 Ų15.816%0.1577%0.071CC..Hα-helixtrans-59-41.9175.7-172.6-118.4000112L147 L176 L177 W182 L183 V184 A226 E229 I230 M233L147-Y180 HydrophobicContact CD1-CD1 3.63Å; L147-Y180 HydrophobicContact CD1-CE1 3.91Å; L147-Y180 HydrophobicContact CD2-CD1 3.84Å; L147-Y180 HydrophobicContact CD2-CE1 4.35Å; L147-Y180 HydrophobicContact CG-CD1 4.43Å; L176-Y180 PolarHBondContact O-N 3.47Å; L177-Y180 PolarHBondContact O-N 3.32Å; Y180-W182 PolarHBondContact O-N 3.3Å; Y180-W182 VanDerWaalsContact O-N 3.15Å; Y180-L183 WeakPolarHBondContact O-CB 3.45Å; Y180-L183 PolarHBondContact O-N 2.96Å; Y180-V184 HydrophobicContact CD2-CG1 3.93Å; Y180-V184 HydrophobicContact CE1-CG1 4.19Å; Y180-V184 HydrophobicContact CE1-CG2 4.32Å; Y180-V184 HydrophobicContact CE2-CG1 3.31Å; Y180-V184 VanDerWaalsContact CZ-CG1 3.46Å; Y180-V184 WeakPolarHBondContact O-CG2 3.4Å; Y180-V184 PolarHBondContact O-N 2.98Å; Y180-V184 VanDerWaalsContact O-N 3.09Å; Y180-A226 HydrophobicContact CD1-CB 3.76Å; Y180-A226 HydrophobicContact CG-CB 4.12Å; Y180-E229 HydrophobicContact CD2-CB 4.15Å; Y180-E229 HydrophobicContact CE1-CB 4.18Å; Y180-E229 HydrophobicContact CE1-CG 4.45Å; Y180-E229 HydrophobicContact CE2-CB 3.41Å; Y180-E229 VanDerWaalsContact CE2-CB 3.41Å; Y180-E229 HydrophobicContact CE2-CG 4.39Å; Y180-E229 VanDerWaalsContact CZ-CB 3.43Å; Y180-E229 WeakPolarHBondContact OH-CB 3.38Å; Y180-I230 HydrophobicContact CD2-CG1 3.73Å; Y180-I230 HydrophobicContact CG-CG1 4.16Å; Y180-M233 HydrophobicContact CD2-SD 4.2Å; Y180-M233 HydrophobicContact CE2-SD 3.87Å
181R98.8Very high97.6Very high31 Ų3116.3 Ų16.312%0.1178%0.075CC..Hα-helixtrans-53.2-32.8174.6179.7-97.9175.4-92.67.1113.7L147 L177 Q178 A179 D185L147-R181 HydrophobicContact CB-CB 3.91Å; L147-R181 HydrophobicContact CB-CG 4.07Å; L147-R181 HydrophobicContact CD1-CB 4.3Å; L177-R181 PolarHBondContact O-N 2.98Å; Q178-R181 WeakPolarHBondContact O-CB 3.19Å; Q178-R181 PolarHBondContact O-N 3.36Å; A179-R181 VanDerWaalsContact C-N 3.3Å; A179-R181 PolarHBondContact O-N 2.97Å; R181-D185 IonicContact CZ-OD2 2.9Å; R181-D185 IonicContact NH1-OD2 2.7Å; R181-D185 PolarHBondContact NH1-OD2 3.49Å; R181-D185 IonicContact NH2-OD2 2.94Å
182W98.5Very high97.5Very high23 Ų2319 Ų199%0.0879%0.085CC..Hα-helixtrans-88.8-31.6175.7-70.3108.3000112.8P117 Y118 L119 Q178 A179 Y180 V184P117-W182 VanDerWaalsContact C-CZ2 3.44Å; P117-W182 WeakPolarHBondContact O-CZ2 3.45Å; P117-W182 PolarHBondContact O-NE1 2.94Å; Y118-W182 VanDerWaalsContact C-CH2 3.4Å; Y118-W182 VanDerWaalsContact C-CZ3 3.46Å; L119-W182 HydrophobicContact CB-CH2 4.17Å; L119-W182 HydrophobicContact CB-CZ3 3.74Å; L119-W182 HydrophobicContact CD1-CZ3 4.13Å; Q178-W182 PolarHBondContact O-N 2.94Å; A179-W182 PolarHBondContact O-N 3Å; A179-W182 VanDerWaalsContact O-N 3.1Å; Y180-W182 PolarHBondContact O-N 3.3Å; Y180-W182 VanDerWaalsContact O-N 3.15Å; W182-V184 VanDerWaalsContact C-N 3.26Å; W182-V184 PolarHBondContact O-N 3.45Å
183L97.2Very high97.4Very high5 Ų522.1 Ų22.13%0.02610%0.099CC..Hα-helixtrans-62.4-31.7176.1-74.5171.3000113.5A179 Y180 T191 R194 L195 F198 I230 M233A179-L183 WeakPolarHBondContact O-CG 3.49Å; A179-L183 PolarHBondContact O-N 2.92Å; Y180-L183 WeakPolarHBondContact O-CB 3.45Å; Y180-L183 PolarHBondContact O-N 2.96Å; L183-T191 HydrophobicContact CD2-CG2 3.8Å; L183-T191 WeakPolarHBondContact CD2-O 3.4Å; L183-T191 WeakPolarHBondContact O-CG2 3.27Å; L183-R194 HydrophobicContact CD2-CB 3.57Å; L183-R194 HydrophobicContact CG-CB 4.41Å; L183-L195 HydrophobicContact CD1-CD2 3.78Å; L183-L195 HydrophobicContact CD1-CG 4.5Å; L183-L195 HydrophobicContact CD2-CD2 3.89Å; L183-L195 HydrophobicContact CD2-CG 3.68Å; L183-F198 HydrophobicContact CD1-CE2 4.21Å; L183-I230 HydrophobicContact CD1-CD1 4.44Å; L183-I230 HydrophobicContact CD1-CG1 3.88Å; L183-I230 HydrophobicContact CD1-CG2 4.31Å; L183-M233 HydrophobicContact CB-CE 4.05Å; L183-M233 HydrophobicContact CB-SD 4.19Å; L183-M233 HydrophobicContact CD1-SD 4.35Å
184V96.9Very high97.3Very high26 Ų2622.9 Ų22.916%0.15810%0.102CC..THydrogen-bonded Turntrans-106.90.9-177.2-54.40000114.7K143 L144 L147 Y180 W182 S186 M233K143-V184 HydrophobicContact CB-CG2 4.44Å; L144-V184 HydrophobicContact CD2-CG2 4.23Å; L147-V184 HydrophobicContact CD1-CG2 3.94Å; Y180-V184 HydrophobicContact CD2-CG1 3.93Å; Y180-V184 HydrophobicContact CE1-CG1 4.19Å; Y180-V184 HydrophobicContact CE1-CG2 4.32Å; Y180-V184 HydrophobicContact CE2-CG1 3.31Å; Y180-V184 VanDerWaalsContact CZ-CG1 3.46Å; Y180-V184 WeakPolarHBondContact O-CG2 3.4Å; Y180-V184 PolarHBondContact O-N 2.98Å; Y180-V184 VanDerWaalsContact O-N 3.09Å; W182-V184 VanDerWaalsContact C-N 3.26Å; W182-V184 PolarHBondContact O-N 3.45Å; V184-S186 PolarHBondContact O-N 3.31Å; V184-M233 HydrophobicContact CG1-SD 4.42Å
185D97.6Very high97.2Very high3 Ų322.8 Ų22.82%0.01610%0.102CC..  trans-70.9115172.1-164.1-34.8000109Q136 L144 R181 R187 D188Q136-D185 PolarHBondContact NE2-OD1 3.26Å; L144-D185 HydrophobicContact CD2-CB 4.15Å; R181-D185 IonicContact CZ-OD2 2.9Å; R181-D185 IonicContact NH1-OD2 2.7Å; R181-D185 PolarHBondContact NH1-OD2 3.49Å; R181-D185 IonicContact NH2-OD2 2.94Å; D185-R187 PolarHBondContact O-N 3.36Å; D185-R187 WeakPolarHBondContact OD1-CB 3.45Å; D185-R187 IonicContact OD1-CZ 3.89Å; D185-R187 PolarHBondContact OD1-N 3.12Å; D185-R187 VanDerWaalsContact OD1-N 3.15Å; D185-R187 IonicContact OD1-NE 3.82Å; D185-R187 PolarHBondContact OD1-NE 3.49Å; D185-R187 IonicContact OD1-NH2 2.92Å; D185-R187 PolarHBondContact OD1-NH2 3.05Å; D185-R187 IonicContact OD2-CZ 3.26Å; D185-R187 IonicContact OD2-NE 2.62Å; D185-R187 IonicContact OD2-NH2 3.88Å; D185-R187 PolarHBondContact OD2-NH2 3.03Å; D185-D188 HydrophobicContact CB-CB 4.45Å; D185-D188 PolarHBondContact O-N 2.74Å
186S95.9Very high97.1Very high22 Ų2224.6 Ų24.615%0.15412%0.116CC..THydrogen-bonded Turntrans-60.5-13.4-177.860.40000114.2Q136 D140 V184Q136-S186 PolarHBondContact NE2-OG 3.34Å; Q136-S186 VanDerWaalsContact NE2-OG 3.14Å; D140-S186 WeakPolarHBondContact CB-OG 3.26Å; V184-S186 PolarHBondContact O-N 3.31Å
187R94.8Very high96.9Very high68 Ų6829.4 Ų29.426%0.25714%0.139SC..THydrogen-bonded Turntrans-88.1-15.2179-57169.9-64.2-178.3-0.5113.2L119 K121 Q136 D185L119-R187 HydrophobicContact CD1-CB 3.75Å; L119-R187 WeakPolarHBondContact CD1-O 3.24Å; L119-R187 HydrophobicContact CD2-CB 4.49Å; K121-R187 WeakPolarHBondContact CG-O 3.32Å; Q136-R187 HydrophobicContact CB-CG 4.47Å; D185-R187 PolarHBondContact O-N 3.36Å; D185-R187 WeakPolarHBondContact OD1-CB 3.45Å; D185-R187 IonicContact OD1-CZ 3.89Å; D185-R187 PolarHBondContact OD1-N 3.12Å; D185-R187 VanDerWaalsContact OD1-N 3.15Å; D185-R187 IonicContact OD1-NE 3.82Å; D185-R187 PolarHBondContact OD1-NE 3.49Å; D185-R187 IonicContact OD1-NH2 2.92Å; D185-R187 PolarHBondContact OD1-NH2 3.05Å; D185-R187 IonicContact OD2-CZ 3.26Å; D185-R187 IonicContact OD2-NE 2.62Å; D185-R187 IonicContact OD2-NH2 3.88Å; D185-R187 PolarHBondContact OD2-NH2 3.03Å
188D95.9Very high96.7Very high7 Ų729.5 Ų29.54%0.03714%0.139CC..  trans-92.1129.8-177.1-165-85.5000111.5L119 K120 D185 Y190 R194L119-D188 HydrophobicContact CD1-CB 4.02Å; K120-D188 PolarHBondContact N-OD2 2.84Å; D185-D188 HydrophobicContact CB-CB 4.45Å; D185-D188 PolarHBondContact O-N 2.74Å; D188-Y190 PolarHBondContact OD1-N 3.24Å; D188-Y190 VanDerWaalsContact OD1-N 3.07Å; D188-R194 IonicContact OD1-CZ 3.41Å; D188-R194 IonicContact OD1-NE 2.79Å; D188-R194 PolarHBondContact OD1-NE 3.23Å; D188-R194 IonicContact OD1-NH2 3.73Å; D188-R194 IonicContact OD2-CZ 2.73Å; D188-R194 IonicContact OD2-NE 3.44Å; D188-R194 IonicContact OD2-NH2 3.53Å; D188-R194 PolarHBondContact OD2-NH2 3.15Å
189D95Very high96.4Very high14 Ų1434 Ų348%0.07516%0.16CC..SBendtrans-99.94.8-173.8-61.7-31.2000113.5K120 K121 K122 P245K120-D189 PolarHBondContact O-N 2.89Å; K121-D189 VanDerWaalsContact CA-OD2 3.26Å; K121-D189 WeakPolarHBondContact CA-OD2 3.35Å; K121-D189 WeakPolarHBondContact CB-OD2 3.4Å; K122-D189 HydrophobicContact CB-CB 4.24Å; K122-D189 HydrophobicContact CD-CB 4.16Å; K122-D189 WeakPolarHBondContact CE-O 3.38Å; K122-D189 HydrophobicContact CG-CB 3.95Å; K122-D189 PolarHBondContact N-OD2 3.09Å; K122-D189 PolarHBondContact NZ-O 3.19Å; D189-P245 HydrophobicContact CB-CG 4.14Å; D189-P245 WeakPolarHBondContact OD1-CB 3.23Å
190Y95.7Very high96.1Very high63 Ų6336.6 Ų36.625%0.24717%0.173CC..  trans-110.122.9-171.3-79.2-107.4000112.7K120 K122 D188 Y192 E193 R194K120-Y190 HydrophobicContact CB-CD2 3.31Å; K120-Y190 HydrophobicContact CB-CE2 3.78Å; K120-Y190 HydrophobicContact CB-CG 3.76Å; K120-Y190 HydrophobicContact CD-CD1 4.37Å; K120-Y190 HydrophobicContact CD-CG 4.18Å; K120-Y190 HydrophobicContact CG-CD2 4.5Å; K122-Y190 HydrophobicContact CD-CE2 4.47Å; K122-Y190 HydrophobicContact CG-CD2 4.27Å; K122-Y190 HydrophobicContact CG-CE2 3.6Å; D188-Y190 PolarHBondContact OD1-N 3.24Å; D188-Y190 VanDerWaalsContact OD1-N 3.07Å; Y190-Y192 VanDerWaalsContact C-N 3.25Å; Y190-Y192 PolarHBondContact O-N 3.25Å; Y190-E193 WeakPolarHBondContact CA-OE2 3.45Å; Y190-E193 HydrophobicContact CD1-CB 3.94Å; Y190-E193 HydrophobicContact CD1-CG 3.87Å; Y190-E193 HydrophobicContact CE1-CG 4.45Å; Y190-E193 PolarHBondContact O-N 2.88Å; Y190-R194 WeakPolarHBondContact O-CB 3.4Å; Y190-R194 VanDerWaalsContact O-CG 3.28Å; Y190-R194 WeakPolarHBondContact O-CG 3.46Å; Y190-R194 PolarHBondContact O-N 2.88Å
191T95.7Very high95.7Very high13 Ų1342.5 Ų42.58%0.0820%0.2CC..Hα-helixtrans-53.4-42.8179.7-450000112.2L183 L195 M233 Y240L183-T191 HydrophobicContact CD2-CG2 3.8Å; L183-T191 WeakPolarHBondContact CD2-O 3.4Å; L183-T191 WeakPolarHBondContact O-CG2 3.27Å; T191-L195 HydrophobicContact CG2-CD1 4.3Å; T191-L195 WeakPolarHBondContact O-CB 3.31Å; T191-L195 VanDerWaalsContact O-CG 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.29Å; T191-L195 PolarHBondContact O-N 3.23Å; T191-M233 HydrophobicContact CG2-CE 3.68Å; T191-Y240 HydrophobicContact CG2-CD1 3.59Å; T191-Y240 HydrophobicContact CG2-CE1 3.97Å; T191-Y240 HydrophobicContact CG2-CG 4.31Å
192Y95.9Very high95.4Very high63 Ų6346.1 Ų46.125%0.24721%0.213CC..Hα-helixtrans-64.8-49.9179.8176.1-103.6000111.7Y190 R194 L195 A196 F237 K241Y190-Y192 VanDerWaalsContact C-N 3.25Å; Y190-Y192 PolarHBondContact O-N 3.25Å; Y192-R194 PolarHBondContact O-N 3.01Å; Y192-L195 PolarHBondContact O-N 3.07Å; Y192-A196 PolarHBondContact O-N 2.79Å; Y192-F237 HydrophobicContact CD2-CD2 4.29Å; Y192-F237 HydrophobicContact CD2-CE1 4.39Å; Y192-F237 AromaticContact CD2-CE2 3.69Å; Y192-F237 HydrophobicContact CD2-CE2 3.69Å; Y192-F237 AromaticContact CD2-CZ 3.75Å; Y192-F237 HydrophobicContact CD2-CZ 3.75Å; Y192-F237 HydrophobicContact CE1-CZ 4.48Å; Y192-F237 HydrophobicContact CE2-CD1 4.19Å; Y192-F237 HydrophobicContact CE2-CD2 4.3Å; Y192-F237 AromaticContact CE2-CE1 3.51Å; Y192-F237 HydrophobicContact CE2-CE1 3.51Å; Y192-F237 AromaticContact CE2-CE2 3.63Å; Y192-F237 HydrophobicContact CE2-CE2 3.63Å; Y192-F237 AromaticContact CE2-CZ 3.19Å; Y192-F237 HydrophobicContact CE2-CZ 3.19Å; Y192-F237 HydrophobicContact CG-CE2 4.5Å; Y192-F237 AromaticContact CZ-CE1 3.97Å; Y192-F237 AromaticContact CZ-CZ 3.62Å; Y192-K241 VanDerWaalsContact CD2-CA 3.46Å; Y192-K241 HydrophobicContact CD2-CB 3.82Å; Y192-K241 HydrophobicContact CD2-CG 4.41Å; Y192-K241 HydrophobicContact CE1-CG 4.32Å; Y192-K241 HydrophobicContact CE2-CB 3.64Å; Y192-K241 HydrophobicContact CE2-CD 4.49Å; Y192-K241 HydrophobicContact CE2-CG 3.98Å; Y192-K241 HydrophobicContact CG-CB 4.44Å
193E96.1Very high95.2Very high65 Ų6545.6 Ų45.630%0.30421%0.213SC..Hα-helixtrans-61.6-43.7179.8-65.685.8163.900111.1K122 Y190 L195 A196 E197K122-E193 VanDerWaalsContact CE-OE1 3.23Å; K122-E193 WeakPolarHBondContact CE-OE1 3.29Å; K122-E193 IonicContact NZ-OE1 3.64Å; K122-E193 PolarHBondContact NZ-OE1 2.72Å; K122-E193 IonicContact NZ-OE2 2.7Å; K122-E193 PolarHBondContact NZ-OE2 3.02Å; Y190-E193 WeakPolarHBondContact CA-OE2 3.45Å; Y190-E193 HydrophobicContact CD1-CB 3.94Å; Y190-E193 HydrophobicContact CD1-CG 3.87Å; Y190-E193 HydrophobicContact CE1-CG 4.45Å; Y190-E193 PolarHBondContact O-N 2.88Å; E193-L195 PolarHBondContact O-N 3.36Å; E193-A196 WeakPolarHBondContact O-CB 3.47Å; E193-A196 PolarHBondContact O-N 3.34Å; E193-E197 PolarHBondContact O-N 3.15Å
194R97.3Very high95.2Very high17 Ų1745.3 Ų45.36%0.06421%0.212CC..Hα-helixtrans-63.2-39.9175.7-69.7176.2-171.2-76.47112.5I115 E116 Y118 L183 D188 Y190 Y192 A196I115-R194 PolarHBondContact O-NH1 2.87Å; E116-R194 PolarHBondContact O-NH1 3.09Å; E116-R194 PolarHBondContact O-NH2 3.08Å; Y118-R194 PolarHBondContact O-NH2 3.44Å; L183-R194 HydrophobicContact CD2-CB 3.57Å; L183-R194 HydrophobicContact CG-CB 4.41Å; D188-R194 IonicContact OD1-CZ 3.41Å; D188-R194 IonicContact OD1-NE 2.79Å; D188-R194 PolarHBondContact OD1-NE 3.23Å; D188-R194 IonicContact OD1-NH2 3.73Å; D188-R194 IonicContact OD2-CZ 2.73Å; D188-R194 IonicContact OD2-NE 3.44Å; D188-R194 IonicContact OD2-NH2 3.53Å; D188-R194 PolarHBondContact OD2-NH2 3.15Å; Y190-R194 WeakPolarHBondContact O-CB 3.4Å; Y190-R194 VanDerWaalsContact O-CG 3.28Å; Y190-R194 WeakPolarHBondContact O-CG 3.46Å; Y190-R194 PolarHBondContact O-N 2.88Å; Y192-R194 PolarHBondContact O-N 3.01Å; R194-A196 VanDerWaalsContact C-N 3.32Å
195L96.9Very high95.2Very high0 Ų048.4 Ų48.40%022%0.221CC..Hα-helixtrans-67.3-34.4174.9-74.9173.9000111.8L183 T191 Y192 E193 E197 F198 I230 M233 L234 F237 Y240L183-L195 HydrophobicContact CD1-CD2 3.78Å; L183-L195 HydrophobicContact CD1-CG 4.5Å; L183-L195 HydrophobicContact CD2-CD2 3.89Å; L183-L195 HydrophobicContact CD2-CG 3.68Å; T191-L195 HydrophobicContact CG2-CD1 4.3Å; T191-L195 WeakPolarHBondContact O-CB 3.31Å; T191-L195 VanDerWaalsContact O-CG 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.29Å; T191-L195 PolarHBondContact O-N 3.23Å; Y192-L195 PolarHBondContact O-N 3.07Å; E193-L195 PolarHBondContact O-N 3.36Å; L195-E197 PolarHBondContact O-N 3.1Å; L195-F198 PolarHBondContact O-N 3.2Å; L195-I230 HydrophobicContact CD2-CG2 4.32Å; L195-M233 HydrophobicContact CD1-CB 4.14Å; L195-M233 HydrophobicContact CD1-CE 4.29Å; L195-M233 HydrophobicContact CD2-CB 3.9Å; L195-L234 HydrophobicContact CB-CD2 4.05Å; L195-L234 HydrophobicContact CD2-CD2 4.08Å; L195-L234 HydrophobicContact CD2-CG 4.11Å; L195-L234 WeakPolarHBondContact O-CD2 3.43Å; L195-F237 HydrophobicContact CB-CD2 3.69Å; L195-F237 HydrophobicContact CB-CE2 3.66Å; L195-F237 HydrophobicContact CD1-CD2 4.17Å; L195-Y240 HydrophobicContact CD1-CD1 4.4Å; L195-Y240 HydrophobicContact CD1-CD2 3.56Å; L195-Y240 HydrophobicContact CD1-CE2 3.95Å; L195-Y240 HydrophobicContact CD1-CG 3.82Å
196A96.2Very high95.2Very high37 Ų3751.7 Ų51.731%0.30623%0.233SC..Hα-helixtrans-60.5-36.1-178.800000111.9Y192 E193 R194 F198 Q199 F237Y192-A196 PolarHBondContact O-N 2.79Å; E193-A196 WeakPolarHBondContact O-CB 3.47Å; E193-A196 PolarHBondContact O-N 3.34Å; R194-A196 VanDerWaalsContact C-N 3.32Å; A196-F198 PolarHBondContact O-N 3.36Å; A196-F198 VanDerWaalsContact O-N 3.11Å; A196-Q199 VanDerWaalsContact O-CB 3.32Å; A196-Q199 WeakPolarHBondContact O-CB 3.44Å; A196-Q199 WeakPolarHBondContact O-CG 3.41Å; A196-Q199 PolarHBondContact O-N 2.88Å; A196-Q199 VanDerWaalsContact O-N 3.08Å; A196-F237 HydrophobicContact CB-CE2 4.18Å; A196-F237 HydrophobicContact CB-CZ 3.89Å
197E95.2Very high95.3Very high102 Ų10251.3 Ų51.348%0.47723%0.231SC..THydrogen-bonded Turntrans-58.5-24.3175.3-65.2-57.1139.800113.2E193 L195 N200E193-E197 PolarHBondContact O-N 3.15Å; L195-E197 PolarHBondContact O-N 3.1Å; E197-N200 PolarHBondContact O-ND2 2.98Å
198F95Very high95.5Very high4 Ų453.4 Ų53.42%0.01824%0.243CC..THydrogen-bonded Turntrans-93.81.1179.8-53.8-39.9000114.6I115 L171 L176 A179 L183 L195 A196 N200 L204 Y205 I230 L234I115-F198 HydrophobicContact CG2-CE1 4.48Å; I115-F198 HydrophobicContact CG2-CZ 4.42Å; L171-F198 HydrophobicContact CD1-CD1 4.19Å; L171-F198 HydrophobicContact CD1-CE1 3.55Å; L176-F198 HydrophobicContact CD2-CE1 4.15Å; L176-F198 HydrophobicContact CD2-CZ 4.34Å; A179-F198 HydrophobicContact CB-CE2 3.94Å; A179-F198 HydrophobicContact CB-CZ 3.52Å; L183-F198 HydrophobicContact CD1-CE2 4.21Å; L195-F198 PolarHBondContact O-N 3.2Å; A196-F198 PolarHBondContact O-N 3.36Å; A196-F198 VanDerWaalsContact O-N 3.11Å; F198-N200 PolarHBondContact O-N 2.97Å; F198-N200 VanDerWaalsContact O-N 3.13Å; F198-L204 HydrophobicContact CB-CB 4.12Å; F198-L204 HydrophobicContact CB-CD2 4.11Å; F198-L204 HydrophobicContact CG-CB 4.44Å; F198-Y205 WeakPolarHBondContact O-CE2 3.37Å; F198-I230 HydrophobicContact CD2-CG2 3.87Å; F198-I230 HydrophobicContact CE2-CG2 4.34Å; F198-L234 HydrophobicContact CB-CD1 4Å
199Q92.6Very high95.6Very high107 Ų10757.6 Ų57.650%0.527%0.269SS..  trans-68.3-5.6177.2-70.3-94.1-32.800113.4A196 F237A196-Q199 VanDerWaalsContact O-CB 3.32Å; A196-Q199 WeakPolarHBondContact O-CB 3.44Å; A196-Q199 WeakPolarHBondContact O-CG 3.41Å; A196-Q199 PolarHBondContact O-N 2.88Å; A196-Q199 VanDerWaalsContact O-N 3.08Å; Q199-F237 HydrophobicContact CG-CZ 4.43Å; Q199-F237 VanDerWaalsContact NE2-CD1 3.26Å
200N93Very high95.8Very high59 Ų5960.4 Ų60.432%0.31628%0.283SS..SBendtrans-85.4162.3175.877.971.7000112.5E197 F198 W202 S203 Y205E197-N200 PolarHBondContact O-ND2 2.98Å; F198-N200 PolarHBondContact O-N 2.97Å; F198-N200 VanDerWaalsContact O-N 3.13Å; N200-W202 VanDerWaalsContact C-N 3.26Å; N200-W202 PolarHBondContact O-N 2.99Å; N200-W202 PolarHBondContact OD1-N 2.94Å; N200-S203 WeakPolarHBondContact ND2-CB 3.49Å; N200-S203 PolarHBondContact ND2-OG 3.4Å; N200-S203 PolarHBondContact OD1-N 3.03Å; N200-S203 PolarHBondContact OD1-OG 3.26Å; N200-Y205 WeakPolarHBondContact O-CD2 3.42Å
201K89.8Confident95.9Very high164 Ų16460.9 Ų60.971%0.71329%0.289SS*.THydrogen-bonded Turntrans-69.9-13.3-173.8-64.7-177.8-179.9178.60115.4R206K201-R206 PolarHBondContact O-NE 3.09Å
202W92.8Very high96.1Very high106 Ų10663.5 Ų63.540%0.40230%0.302SS..THydrogen-bonded Turntrans-114.1-51.8-163-57.7103.7000113.6K169 N200 L204 R206K169-W202 HydrophobicContact CB-CB 3.74Å; K169-W202 HydrophobicContact CB-CG 4.18Å; K169-W202 HydrophobicContact CD-CD2 4.03Å; K169-W202 HydrophobicContact CD-CE3 4.28Å; K169-W202 HydrophobicContact CD-CG 4.14Å; N200-W202 VanDerWaalsContact C-N 3.26Å; N200-W202 PolarHBondContact O-N 2.99Å; N200-W202 PolarHBondContact OD1-N 2.94Å; W202-L204 PolarHBondContact O-N 3.49Å; W202-R206 HydrophobicContact CE3-CG 4.06Å
203S94.4Very high96.2Very high12 Ų1261 Ų618%0.08429%0.294CS..THydrogen-bonded Turntrans-54.4-37.8-168.4-60.10000113.4K169 Y170 L171 N200K169-S203 WeakPolarHBondContact O-CA 3.29Å; Y170-S203 WeakPolarHBondContact CD2-O 3.47Å; L171-S203 PolarHBondContact N-O 2.97Å; N200-S203 WeakPolarHBondContact ND2-CB 3.49Å; N200-S203 PolarHBondContact ND2-OG 3.4Å; N200-S203 PolarHBondContact OD1-N 3.03Å; N200-S203 PolarHBondContact OD1-OG 3.26Å
204L97Very high96.3Very high0 Ų059.5 Ų59.50%029%0.289CS..THydrogen-bonded Turntrans-116.6-46.6-179176.768.6000113.2L176 F198 W202 R206 C207 I227 I230 K231 L234L176-L204 HydrophobicContact CD1-CD1 3.85Å; L176-L204 HydrophobicContact CD2-CD1 3.85Å; L176-L204 HydrophobicContact CG-CD1 4.4Å; F198-L204 HydrophobicContact CB-CB 4.12Å; F198-L204 HydrophobicContact CB-CD2 4.11Å; F198-L204 HydrophobicContact CG-CB 4.44Å; W202-L204 PolarHBondContact O-N 3.49Å; L204-R206 PolarHBondContact O-N 3.2Å; L204-C207 PolarHBondContact O-N 3.18Å; L204-C207 VanDerWaalsContact O-N 3.1Å; L204-I227 HydrophobicContact CD1-CG2 3.84Å; L204-I230 HydrophobicContact CD1-CB 4.4Å; L204-I230 HydrophobicContact CD1-CG2 4.13Å; L204-I230 HydrophobicContact CD2-CG2 3.67Å; L204-K231 HydrophobicContact CD2-CG 4.11Å; L204-K231 HydrophobicContact CG-CG 4.41Å; L204-L234 HydrophobicContact CD2-CD1 3.19Å
205Y96.7Very high96.4Very high90 Ų9065 Ų6535%0.35332%0.316SS..THydrogen-bonded Turntrans-75.65.6-164.7-66.9-76.1000115.4F198 N200 C207 L234F198-Y205 WeakPolarHBondContact O-CE2 3.37Å; N200-Y205 WeakPolarHBondContact O-CD2 3.42Å; Y205-C207 VanDerWaalsContact C-N 3.29Å; Y205-L234 HydrophobicContact CE2-CD1 4.44Å; Y205-L234 WeakPolarHBondContact OH-CD1 3.41Å
206R97.6Very high96.5Very high72 Ų7265.8 Ų65.827%0.27232%0.321SS..THydrogen-bonded Turntrans-81-8.4165.6-60.7-58.489.6-146.1-3112.8S162 N166 Y170 K201 W202 L204 H208S162-R206 WeakPolarHBondContact CB-O 3.43Å; S162-R206 PolarHBondContact OG-O 3.26Å; N166-R206 HydrophobicContact CB-CG 4.48Å; Y170-R206 HydrophobicContact CD1-CB 4.26Å; Y170-R206 HydrophobicContact CD2-CB 3.76Å; Y170-R206 HydrophobicContact CE2-CB 4.38Å; Y170-R206 HydrophobicContact CG-CB 3.69Å; Y170-R206 HydrophobicContact CG-CG 4.38Å; K201-R206 PolarHBondContact O-NE 3.09Å; W202-R206 HydrophobicContact CE3-CG 4.06Å; L204-R206 PolarHBondContact O-N 3.2Å; R206-H208 PolarHBondContact O-CD2 3.16Å; R206-H208 VanDerWaalsContact O-CD2 3.26Å; R206-H208 PolarHBondContact O-N 3.12Å
207C98.4Very high96.6Very high14 Ų1465.1 Ų65.110%0.09531%0.313CS..  trans-70.4112.5170177.40000110.9Y170 L204 Y205 I227 K231Y170-C207 HydrophobicContact CE2-CB 4.22Å; L204-C207 PolarHBondContact O-N 3.18Å; L204-C207 VanDerWaalsContact O-N 3.1Å; Y205-C207 VanDerWaalsContact C-N 3.29Å; C207-I227 HydrophobicContact CB-CD1 4.44Å; C207-I227 HydrophobicContact CB-CG2 3.72Å; C207-I227 VanDerWaalsContact SG-CG2 3.56Å; C207-K231 PolarHBondContact O-NZ 3.44Å
208H98.1Very high96.8Very high113 Ų11361 Ų6152%0.52330%0.296SS..  trans-107.127.5176.8-58.6-55.1000112.8R206 I210R206-H208 PolarHBondContact O-CD2 3.16Å; R206-H208 VanDerWaalsContact O-CD2 3.26Å; R206-H208 PolarHBondContact O-N 3.12Å; H208-I210 VanDerWaalsContact C-N 3.29Å; H208-I210 HydrophobicContact CB-CG1 4.5Å; H208-I210 PolarHBondContact O-N 3.3Å
209T98.4Very high96.9Very high95 Ų9564.9 Ų64.958%0.58331%0.312SS*.  trans55.541.9174.7-36.80000113.2M211T209-M211 VanDerWaalsContact C-N 3.26Å; T209-M211 HydrophobicContact CG2-CG 4.15Å; T209-M211 HydrophobicContact CG2-SD 3.85Å; T209-M211 PolarHBondContact O-N 3.38Å
210I98.7Very high97.2Very high72 Ų7263.1 Ų63.137%0.36932%0.323SS..  trans-71.1-23.7178.4-61.5169.3000111.8P161 H208 N212P161-I210 HydrophobicContact CB-CD1 4.06Å; P161-I210 HydrophobicContact CG-CD1 4.04Å; P161-I210 HydrophobicContact CG-CG2 4.29Å; H208-I210 VanDerWaalsContact C-N 3.29Å; H208-I210 HydrophobicContact CB-CG1 4.5Å; H208-I210 PolarHBondContact O-N 3.3Å; I210-N212 HydrophobicContact CG2-CB 4.48Å; I210-N212 PolarHBondContact O-N 3.39Å
211M98.5Very high97.5Very high73 Ų7361 Ų6136%0.3631%0.311SS..  trans65.7-1.6174.6-58-54.6-68.100118.2T209 C213 T214 E215T209-M211 VanDerWaalsContact C-N 3.26Å; T209-M211 HydrophobicContact CG2-CG 4.15Å; T209-M211 HydrophobicContact CG2-SD 3.85Å; T209-M211 PolarHBondContact O-N 3.38Å; M211-C213 PolarHBondContact O-N 3.11Å; M211-T214 PolarHBondContact O-N 3.17Å; M211-T214 VanDerWaalsContact O-N 3.12Å; M211-E215 PolarHBondContact O-N 3.35Å
212N98.8Very high97.9Very high69 Ų6956.2 Ų56.237%0.36929%0.294SS..Hα-helixtrans-51.6-28.3168.2-77.913.1000113.9S159 I210 T216S159-N212 VanDerWaalsContact O-CB 3.29Å; S159-N212 WeakPolarHBondContact O-CB 3.49Å; S159-N212 PolarHBondContact O-ND2 2.98Å; S159-N212 PolarHBondContact OG-O 2.92Å; S159-N212 VanDerWaalsContact OG-O 3.05Å; I210-N212 HydrophobicContact CG2-CB 4.48Å; I210-N212 PolarHBondContact O-N 3.39Å; N212-T216 VanDerWaalsContact O-CB 3.31Å; N212-T216 WeakPolarHBondContact O-CB 2.95Å; N212-T216 VanDerWaalsContact O-CG2 3.28Å; N212-T216 WeakPolarHBondContact O-CG2 3.5Å; N212-T216 PolarHBondContact O-N 3.09Å; N212-T216 VanDerWaalsContact O-N 3.14Å
213C98.8Very high98.2Very high9 Ų951.2 Ų51.26%0.06128%0.275CS..Hα-helixtrans-67.2-40.2-178.8530000113.1C156 P173 M211 P223C156-C213 HydrophobicContact CB-CB 3.86Å; C156-C213 VanDerWaalsContact CB-O 3.26Å; C156-C213 WeakPolarHBondContact CB-O 3.48Å; P173-C213 HydrophobicContact CB-CB 3.54Å; P173-C213 HydrophobicContact CG-CB 3.6Å; M211-C213 PolarHBondContact O-N 3.11Å; C213-P223 HydrophobicContact CB-CB 4.36Å
214T98.7Very high98.4Very high35 Ų3551.2 Ų51.222%0.21528%0.277CS..Hα-helixtrans-76.8-46.1178.2-60.70000110M211 T216 C217 N222 G224M211-T214 PolarHBondContact O-N 3.17Å; M211-T214 VanDerWaalsContact O-N 3.12Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 3.03Å; T214-C217 PolarHBondContact O-N 3.34Å; T214-N222 HydrophobicContact CG2-CB 4.08Å; T214-N222 WeakPolarHBondContact CG2-OD1 3.34Å; T214-N222 PolarHBondContact OG1-OD1 2.89Å; T214-G224 PolarHBondContact OG1-N 2.95Å
215E98.5Very high98.5Very high133 Ų13355.8 Ų55.862%0.62130%0.301SS*.Hα-helixtrans-57.9-37.5179.9178.763.3-173.900112.9R70 M211R70-E215 IonicContact CZ-OE1 3.53Å; R70-E215 IonicContact NH1-OE1 2.85Å; R70-E215 PolarHBondContact NH1-OE1 3.39Å; M211-E215 PolarHBondContact O-N 3.35Å
216T98.7Very high98.6Very high16 Ų1651.6 Ų51.610%0.09829%0.285CS..THydrogen-bonded Turntrans-89.6-5-176.2-148.60000113.9N71 C155 C156 S159 N212 T214 P218N71-T216 HydrophobicContact CB-CG2 4.43Å; N71-T216 WeakPolarHBondContact CB-OG1 3.38Å; N71-T216 PolarHBondContact N-OG1 2.91Å; N71-T216 PolarHBondContact O-OG1 2.97Å; C155-T216 HydrophobicContact CB-CG2 4.19Å; C155-T216 WeakPolarHBondContact O-CG2 3.44Å; C156-T216 HydrophobicContact CB-CG2 4.32Å; S159-T216 VanDerWaalsContact OG-CG2 3.26Å; S159-T216 WeakPolarHBondContact OG-CG2 3.38Å; N212-T216 VanDerWaalsContact O-CB 3.31Å; N212-T216 WeakPolarHBondContact O-CB 2.95Å; N212-T216 VanDerWaalsContact O-CG2 3.28Å; N212-T216 WeakPolarHBondContact O-CG2 3.5Å; N212-T216 PolarHBondContact O-N 3.09Å; N212-T216 VanDerWaalsContact O-N 3.14Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 3.03Å; T216-P218 VanDerWaalsContact O-CD 3.22Å; T216-P218 WeakPolarHBondContact O-CD 3.17Å; T216-P218 VanDerWaalsContact O-N 3.16Å
217C98.8Very high98.6Very high22 Ų2248.2 Ų48.215%0.14927%0.272CS..  trans-68.4114.3-170.4-173.40000110.6T214 K219 G220 L221T214-C217 PolarHBondContact O-N 3.34Å; C217-K219 PolarHBondContact O-N 2.89Å; C217-G220 PolarHBondContact O-N 2.96Å; C217-L221 PolarHBondContact SG-N 3.3Å
218P98.6Very high98.6Very high17 Ų1748.9 Ų48.911%0.1128%0.281CS..THydrogen-bonded Turntrans-69.7-7-176.730.4-37.3000113.4L73 I76 T216L73-P218 HydrophobicContact CD1-CB 3.94Å; L73-P218 HydrophobicContact CD1-CG 3.96Å; L73-P218 HydrophobicContact CD2-CG 4.16Å; L73-P218 HydrophobicContact CG-CB 3.72Å; L73-P218 HydrophobicContact CG-CG 3.72Å; I76-P218 HydrophobicContact CD1-CB 4.36Å; T216-P218 VanDerWaalsContact O-CD 3.22Å; T216-P218 WeakPolarHBondContact O-CD 3.17Å; T216-P218 VanDerWaalsContact O-N 3.16Å
219K98.6Very high98.6Very high84 Ų8445.8 Ų45.837%0.36527%0.267SS..THydrogen-bonded Turntrans-105.22.9176.4-63.4-57.5-59179.90112.8I151 C217 L221I151-K219 HydrophobicContact CD1-CD 4.3Å; I151-K219 HydrophobicContact CD1-CG 4.15Å; I151-K219 HydrophobicContact CG1-CG 4.24Å; I151-K219 HydrophobicContact CG2-CD 4.3Å; I151-K219 HydrophobicContact CG2-CG 4.22Å; C217-K219 PolarHBondContact O-N 2.89Å; K219-L221 HydrophobicContact CB-CD1 4.24Å; K219-L221 HydrophobicContact CB-CD2 4.3Å; K219-L221 HydrophobicContact CB-CG 3.87Å; K219-L221 PolarHBondContact O-N 3.01Å
220G98.3Very high98.6Very high71 Ų7141.2 Ų41.273%0.73224%0.239SC*.  trans66.921.3-179.200000114.4C217C217-G220 PolarHBondContact O-N 2.96Å
221L98.8Very high98.6Very high13 Ų1340.3 Ų40.37%0.06823%0.232CC..  trans-80.1163179.2-47.2-179.7000110.9E149 C150 L177 C217 K219 P223E149-L221 HydrophobicContact CB-CD1 4.5Å; E149-L221 HydrophobicContact CB-CD2 4.08Å; C150-L221 HydrophobicContact CB-CD1 3.91Å; L177-L221 HydrophobicContact CD1-CB 4.17Å; L177-L221 HydrophobicContact CD1-CD1 4.43Å; C217-L221 PolarHBondContact SG-N 3.3Å; K219-L221 HydrophobicContact CB-CD1 4.24Å; K219-L221 HydrophobicContact CB-CD2 4.3Å; K219-L221 HydrophobicContact CB-CG 3.87Å; K219-L221 PolarHBondContact O-N 3.01Å; L221-P223 VanDerWaalsContact C-CD 3.41Å; L221-P223 WeakPolarHBondContact O-CD 3.42Å
222N98.8Very high98.5Very high64 Ų6442.1 Ų42.134%0.34224%0.238SC..  trans-118.474.3-179.6-162.2-16000113.5T214 G224 L225 A226T214-N222 HydrophobicContact CG2-CB 4.08Å; T214-N222 WeakPolarHBondContact CG2-OD1 3.34Å; T214-N222 PolarHBondContact OG1-OD1 2.89Å; N222-G224 PolarHBondContact O-N 3.49Å; N222-G224 PolarHBondContact OD1-N 3.21Å; N222-L225 HydrophobicContact CB-CB 4.03Å; N222-L225 VanDerWaalsContact CG-CB 3.43Å; N222-L225 PolarHBondContact O-N 2.71Å; N222-L225 PolarHBondContact OD1-N 3.38Å; N222-A226 PolarHBondContact O-N 2.9Å
223P98.9Very high98.4Very high2 Ų239.6 Ų39.61%0.01323%0.225CC..Hα-helixtrans-57.8-32.7174.4-20.429000113.7C156 P173 L177 C213 L221 A226 I227C156-P223 HydrophobicContact CB-CG 4.32Å; P173-P223 HydrophobicContact CB-CB 3.61Å; P173-P223 HydrophobicContact CB-CG 4.42Å; L177-P223 HydrophobicContact CB-CB 4.27Å; L177-P223 HydrophobicContact CD1-CB 4.1Å; L177-P223 HydrophobicContact CD1-CG 3.82Å; C213-P223 HydrophobicContact CB-CB 4.36Å; L221-P223 VanDerWaalsContact C-CD 3.41Å; L221-P223 WeakPolarHBondContact O-CD 3.42Å; P223-A226 PolarHBondContact O-N 2.77Å; P223-I227 VanDerWaalsContact O-CG1 3.28Å; P223-I227 WeakPolarHBondContact O-CG1 3.4Å; P223-I227 PolarHBondContact O-N 3.15Å
224G98.8Very high98.3Very high11 Ų1139.7 Ų39.711%0.11322%0.224CC..Hα-helixtrans-60-45.3176.800000112.1T214 N222 I227 G228T214-G224 PolarHBondContact OG1-N 2.95Å; N222-G224 PolarHBondContact O-N 3.49Å; N222-G224 PolarHBondContact OD1-N 3.21Å; G224-I227 PolarHBondContact O-N 2.73Å; G224-G228 PolarHBondContact O-N 3.23Å
225L98.6Very high98.1Very high96 Ų9644.2 Ų44.250%0.50325%0.246SC..Hα-helixtrans-62.7-48.6174.5177.661.3000111.6N222 I227 G228 E229N222-L225 HydrophobicContact CB-CB 4.03Å; N222-L225 VanDerWaalsContact CG-CB 3.43Å; N222-L225 PolarHBondContact O-N 2.71Å; N222-L225 PolarHBondContact OD1-N 3.38Å; L225-I227 VanDerWaalsContact C-N 3.28Å; L225-I227 PolarHBondContact O-N 3.49Å; L225-G228 CarbonylContact O-C 3.55Å; L225-G228 WeakPolarHBondContact O-CA 3.28Å; L225-G228 PolarHBondContact O-N 3.17Å; L225-E229 HydrophobicContact CD1-CG 4.38Å; L225-E229 PolarHBondContact O-N 3.44Å
226A98.8Very high97.9Very high3 Ų344.2 Ų44.23%0.02524%0.241CC..Hα-helixtrans-56.6-42.2178.500000112.2L147 L177 Y180 N222 P223 G228 E229 I230L147-A226 HydrophobicContact CD2-CB 4.31Å; L177-A226 HydrophobicContact CB-CB 4.34Å; L177-A226 HydrophobicContact CG-CB 4.41Å; Y180-A226 HydrophobicContact CD1-CB 3.76Å; Y180-A226 HydrophobicContact CG-CB 4.12Å; N222-A226 PolarHBondContact O-N 2.9Å; P223-A226 PolarHBondContact O-N 2.77Å; A226-G228 VanDerWaalsContact C-N 3.34Å; A226-G228 PolarHBondContact O-N 3.02Å; A226-E229 PolarHBondContact O-N 2.96Å; A226-I230 WeakPolarHBondContact O-CG1 3.48Å; A226-I230 PolarHBondContact O-N 3.25Å
227I98.7Very high97.6Very high1 Ų144.5 Ų44.51%0.00524%0.241CC..Hα-helixtrans-63.6-40.6174.1-67.9163.6000111.5P173 L176 L204 C207 P223 G224 L225 E229 I230 K231P173-I227 HydrophobicContact CB-CD1 4.03Å; L176-I227 HydrophobicContact CB-CD1 4.25Å; L176-I227 HydrophobicContact CB-CG1 3.68Å; L176-I227 HydrophobicContact CD1-CD1 4.03Å; L176-I227 HydrophobicContact CD1-CG1 3.93Å; L176-I227 HydrophobicContact CG-CG1 4.46Å; L204-I227 HydrophobicContact CD1-CG2 3.84Å; C207-I227 HydrophobicContact CB-CD1 4.44Å; C207-I227 HydrophobicContact CB-CG2 3.72Å; C207-I227 VanDerWaalsContact SG-CG2 3.56Å; P223-I227 VanDerWaalsContact O-CG1 3.28Å; P223-I227 WeakPolarHBondContact O-CG1 3.4Å; P223-I227 PolarHBondContact O-N 3.15Å; G224-I227 PolarHBondContact O-N 2.73Å; L225-I227 VanDerWaalsContact C-N 3.28Å; L225-I227 PolarHBondContact O-N 3.49Å; I227-E229 VanDerWaalsContact C-N 3.32Å; I227-E229 PolarHBondContact O-N 2.85Å; I227-I230 PolarHBondContact O-N 3.13Å; I227-K231 HydrophobicContact CG2-CD 4.45Å; I227-K231 WeakPolarHBondContact O-CG 3.34Å; I227-K231 PolarHBondContact O-N 2.73Å
228G98.4Very high97.2Very high27 Ų2749.2 Ų49.228%0.27827%0.265SS..Hα-helixtrans-58.1-43.3173.500000112.4G224 L225 A226 K231 K232G224-G228 PolarHBondContact O-N 3.23Å; L225-G228 CarbonylContact O-C 3.55Å; L225-G228 WeakPolarHBondContact O-CA 3.28Å; L225-G228 PolarHBondContact O-N 3.17Å; A226-G228 VanDerWaalsContact C-N 3.34Å; A226-G228 PolarHBondContact O-N 3.02Å; G228-K231 WeakPolarHBondContact O-CB 3.47Å; G228-K231 PolarHBondContact O-N 3Å; G228-K232 WeakPolarHBondContact O-CG 3.48Å; G228-K232 PolarHBondContact O-N 3.12Å
229E98.3Very high96.8Very high48 Ų4854.7 Ų54.722%0.22429%0.289CS..Hα-helixtrans-66.7-41.8177-65-52.8135.800112.4Y180 L225 A226 I227 K231 K232 M233Y180-E229 HydrophobicContact CD2-CB 4.15Å; Y180-E229 HydrophobicContact CE1-CB 4.18Å; Y180-E229 HydrophobicContact CE1-CG 4.45Å; Y180-E229 HydrophobicContact CE2-CB 3.41Å; Y180-E229 VanDerWaalsContact CE2-CB 3.41Å; Y180-E229 HydrophobicContact CE2-CG 4.39Å; Y180-E229 VanDerWaalsContact CZ-CB 3.43Å; Y180-E229 WeakPolarHBondContact OH-CB 3.38Å; L225-E229 HydrophobicContact CD1-CG 4.38Å; L225-E229 PolarHBondContact O-N 3.44Å; A226-E229 PolarHBondContact O-N 2.96Å; I227-E229 VanDerWaalsContact C-N 3.32Å; I227-E229 PolarHBondContact O-N 2.85Å; E229-K231 VanDerWaalsContact C-N 3.29Å; E229-K231 PolarHBondContact O-N 3.02Å; E229-K232 WeakPolarHBondContact O-CB 3.39Å; E229-K232 PolarHBondContact O-N 2.7Å; E229-K232 VanDerWaalsContact O-N 3.09Å; E229-K232 IonicContact OE1-NZ 3.6Å; E229-K232 PolarHBondContact OE1-NZ 3.17Å; E229-K232 WeakPolarHBondContact OE2-CD 3.46Å; E229-K232 IonicContact OE2-NZ 3.53Å; E229-M233 WeakPolarHBondContact O-CG 3.37Å; E229-M233 PolarHBondContact O-N 3.19Å
230I98.2Very high96.5Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-57.5-44.9172.7-63.2166.4000110.7L176 A179 Y180 L183 L195 F198 L204 A226 I227 K232 M233 L234L176-I230 HydrophobicContact CB-CD1 4.3Å; L176-I230 HydrophobicContact CD2-CD1 4.46Å; L176-I230 VanDerWaalsContact O-CD1 3.23Å; L176-I230 WeakPolarHBondContact O-CD1 3.32Å; A179-I230 HydrophobicContact CB-CD1 4.49Å; Y180-I230 HydrophobicContact CD2-CG1 3.73Å; Y180-I230 HydrophobicContact CG-CG1 4.16Å; L183-I230 HydrophobicContact CD1-CD1 4.44Å; L183-I230 HydrophobicContact CD1-CG1 3.88Å; L183-I230 HydrophobicContact CD1-CG2 4.31Å; L195-I230 HydrophobicContact CD2-CG2 4.32Å; F198-I230 HydrophobicContact CD2-CG2 3.87Å; F198-I230 HydrophobicContact CE2-CG2 4.34Å; L204-I230 HydrophobicContact CD1-CB 4.4Å; L204-I230 HydrophobicContact CD1-CG2 4.13Å; L204-I230 HydrophobicContact CD2-CG2 3.67Å; A226-I230 WeakPolarHBondContact O-CG1 3.48Å; A226-I230 PolarHBondContact O-N 3.25Å; I227-I230 PolarHBondContact O-N 3.13Å; I230-K232 VanDerWaalsContact C-N 3.3Å; I230-K232 PolarHBondContact O-N 3.23Å; I230-M233 PolarHBondContact O-N 3.37Å; I230-L234 HydrophobicContact CG2-CD1 4.19Å; I230-L234 PolarHBondContact O-N 3.08Å
231K97.7Very high95.9Very high52 Ų5255.2 Ų55.223%0.22627%0.27CS..Hα-helixtrans-60.1-39.8177.4-72.5174.7177-178.30111.6L204 C207 I227 G228 E229 L234 I235L204-K231 HydrophobicContact CD2-CG 4.11Å; L204-K231 HydrophobicContact CG-CG 4.41Å; C207-K231 PolarHBondContact O-NZ 3.44Å; I227-K231 HydrophobicContact CG2-CD 4.45Å; I227-K231 WeakPolarHBondContact O-CG 3.34Å; I227-K231 PolarHBondContact O-N 2.73Å; G228-K231 WeakPolarHBondContact O-CB 3.47Å; G228-K231 PolarHBondContact O-N 3Å; E229-K231 VanDerWaalsContact C-N 3.29Å; E229-K231 PolarHBondContact O-N 3.02Å; K231-L234 PolarHBondContact O-N 3.19Å; K231-I235 PolarHBondContact O-N 2.7Å
232K97.2Very high94.9Very high111 Ų11161.9 Ų61.948%0.48330%0.3SS..Hα-helixtrans-63.9-43.9173.8-69.7173.4-175.5170.50111.8G228 E229 I230 L234 I235 Y236G228-K232 WeakPolarHBondContact O-CG 3.48Å; G228-K232 PolarHBondContact O-N 3.12Å; E229-K232 WeakPolarHBondContact O-CB 3.39Å; E229-K232 PolarHBondContact O-N 2.7Å; E229-K232 VanDerWaalsContact O-N 3.09Å; E229-K232 IonicContact OE1-NZ 3.6Å; E229-K232 PolarHBondContact OE1-NZ 3.17Å; E229-K232 WeakPolarHBondContact OE2-CD 3.46Å; E229-K232 IonicContact OE2-NZ 3.53Å; I230-K232 VanDerWaalsContact C-N 3.3Å; I230-K232 PolarHBondContact O-N 3.23Å; K232-L234 VanDerWaalsContact C-N 3.27Å; K232-L234 PolarHBondContact O-N 2.95Å; K232-I235 WeakPolarHBondContact O-CB 3.47Å; K232-I235 PolarHBondContact O-N 3.37Å; K232-I235 VanDerWaalsContact O-N 3.16Å; K232-Y236 WeakPolarHBondContact O-CD2 3.43Å
233M96.9Very high93.8Very high17 Ų1764.2 Ų64.28%0.08431%0.307CS..Hα-helixtrans-59.2-39.1176.6-65.417877.600111.7Y180 L183 V184 T191 L195 E229 I230 I235 Y236 F237 Y240Y180-M233 HydrophobicContact CD2-SD 4.2Å; Y180-M233 HydrophobicContact CE2-SD 3.87Å; L183-M233 HydrophobicContact CB-CE 4.05Å; L183-M233 HydrophobicContact CB-SD 4.19Å; L183-M233 HydrophobicContact CD1-SD 4.35Å; V184-M233 HydrophobicContact CG1-SD 4.42Å; T191-M233 HydrophobicContact CG2-CE 3.68Å; L195-M233 HydrophobicContact CD1-CB 4.14Å; L195-M233 HydrophobicContact CD1-CE 4.29Å; L195-M233 HydrophobicContact CD2-CB 3.9Å; E229-M233 WeakPolarHBondContact O-CG 3.37Å; E229-M233 PolarHBondContact O-N 3.19Å; I230-M233 PolarHBondContact O-N 3.37Å; M233-I235 VanDerWaalsContact C-N 3.33Å; M233-I235 PolarHBondContact O-N 2.98Å; M233-Y236 CarbonylContact O-C 3.6Å; M233-Y236 VanDerWaalsContact O-C 3.26Å; M233-Y236 PolarHBondContact O-N 3.38Å; M233-Y236 VanDerWaalsContact O-N 3.11Å; M233-F237 PolarHBondContact O-N 3Å; M233-F237 VanDerWaalsContact O-N 3.12Å; M233-Y240 HydrophobicContact CB-CE2 4.15Å; M233-Y240 HydrophobicContact CE-CD1 4.47Å; M233-Y240 HydrophobicContact CE-CE1 3.67Å; M233-Y240 HydrophobicContact CE-CE2 4.48Å; M233-Y240 WeakPolarHBondContact O-CE2 3.34Å
234L96Very high92.2Very high11 Ų1172.6 Ų72.66%0.05834%0.344CS..Hα-helixtrans-67.3-28177.7-75168.9000114L195 F198 L204 Y205 I230 K231 K232 Y236 F237L195-L234 HydrophobicContact CB-CD2 4.05Å; L195-L234 HydrophobicContact CD2-CD2 4.08Å; L195-L234 HydrophobicContact CD2-CG 4.11Å; L195-L234 WeakPolarHBondContact O-CD2 3.43Å; F198-L234 HydrophobicContact CB-CD1 4Å; L204-L234 HydrophobicContact CD2-CD1 3.19Å; Y205-L234 HydrophobicContact CE2-CD1 4.44Å; Y205-L234 WeakPolarHBondContact OH-CD1 3.41Å; I230-L234 HydrophobicContact CG2-CD1 4.19Å; I230-L234 PolarHBondContact O-N 3.08Å; K231-L234 PolarHBondContact O-N 3.19Å; K232-L234 VanDerWaalsContact C-N 3.27Å; K232-L234 PolarHBondContact O-N 2.95Å; L234-Y236 PolarHBondContact O-N 3.09Å; L234-F237 HydrophobicContact CD2-CD2 4.27Å; L234-F237 VanDerWaalsContact O-CB 3.29Å; L234-F237 WeakPolarHBondContact O-CB 3.45Å; L234-F237 PolarHBondContact O-N 3.14Å
235I95.2Very high90.5Very high129 Ų12974.6 Ų74.666%0.66236%0.355SS*.Hα-helixtrans-61.2-36.8171.7-65.1169.3000110.1K231 K232 M233K231-I235 PolarHBondContact O-N 2.7Å; K232-I235 WeakPolarHBondContact O-CB 3.47Å; K232-I235 PolarHBondContact O-N 3.37Å; K232-I235 VanDerWaalsContact O-N 3.16Å; M233-I235 VanDerWaalsContact C-N 3.33Å; M233-I235 PolarHBondContact O-N 2.98Å
236Y92.7Very high88.6Confident134 Ų13475.6 Ų75.653%0.52536%0.357SS..THydrogen-bonded Turntrans-102.226.3178.9-56.1-70.1000113K232 M233 L234 N238 Q239 Y240K232-Y236 WeakPolarHBondContact O-CD2 3.43Å; M233-Y236 CarbonylContact O-C 3.6Å; M233-Y236 VanDerWaalsContact O-C 3.26Å; M233-Y236 PolarHBondContact O-N 3.38Å; M233-Y236 VanDerWaalsContact O-N 3.11Å; L234-Y236 PolarHBondContact O-N 3.09Å; Y236-N238 VanDerWaalsContact C-N 3.27Å; Y236-N238 PolarHBondContact O-N 3.27Å; Y236-N238 VanDerWaalsContact O-N 3.09Å; Y236-Q239 WeakPolarHBondContact O-CB 3.37Å; Y236-Q239 PolarHBondContact O-N 3.37Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.4Å
237F92.8Very high86.4Confident22 Ų2278.7 Ų78.710%0.09638%0.376CS..Hα-helixtrans-49.3-43.5-171.7175.5-116.8000114.1Y192 L195 A196 Q199 M233 L234 Q239 Y240Y192-F237 HydrophobicContact CD2-CD2 4.29Å; Y192-F237 HydrophobicContact CD2-CE1 4.39Å; Y192-F237 AromaticContact CD2-CE2 3.69Å; Y192-F237 HydrophobicContact CD2-CE2 3.69Å; Y192-F237 AromaticContact CD2-CZ 3.75Å; Y192-F237 HydrophobicContact CD2-CZ 3.75Å; Y192-F237 HydrophobicContact CE1-CZ 4.48Å; Y192-F237 HydrophobicContact CE2-CD1 4.19Å; Y192-F237 HydrophobicContact CE2-CD2 4.3Å; Y192-F237 AromaticContact CE2-CE1 3.51Å; Y192-F237 HydrophobicContact CE2-CE1 3.51Å; Y192-F237 AromaticContact CE2-CE2 3.63Å; Y192-F237 HydrophobicContact CE2-CE2 3.63Å; Y192-F237 AromaticContact CE2-CZ 3.19Å; Y192-F237 HydrophobicContact CE2-CZ 3.19Å; Y192-F237 HydrophobicContact CG-CE2 4.5Å; Y192-F237 AromaticContact CZ-CE1 3.97Å; Y192-F237 AromaticContact CZ-CZ 3.62Å; L195-F237 HydrophobicContact CB-CD2 3.69Å; L195-F237 HydrophobicContact CB-CE2 3.66Å; L195-F237 HydrophobicContact CD1-CD2 4.17Å; A196-F237 HydrophobicContact CB-CE2 4.18Å; A196-F237 HydrophobicContact CB-CZ 3.89Å; Q199-F237 HydrophobicContact CG-CZ 4.43Å; Q199-F237 VanDerWaalsContact NE2-CD1 3.26Å; M233-F237 PolarHBondContact O-N 3Å; M233-F237 VanDerWaalsContact O-N 3.12Å; L234-F237 HydrophobicContact CD2-CD2 4.27Å; L234-F237 VanDerWaalsContact O-CB 3.29Å; L234-F237 WeakPolarHBondContact O-CB 3.45Å; L234-F237 PolarHBondContact O-N 3.14Å; F237-Q239 PolarHBondContact O-N 2.69Å; F237-Y240 PolarHBondContact O-N 3.28Å; F237-Y240 VanDerWaalsContact O-N 3.08Å
238N91Very high84.3Confident121 Ų12187.6 Ų87.665%0.64741%0.409SS*.Hα-helixtrans-64.9-21.8-177.7-71.7-29.6000113.9Y236 Y240 K241Y236-N238 VanDerWaalsContact C-N 3.27Å; Y236-N238 PolarHBondContact O-N 3.27Å; Y236-N238 VanDerWaalsContact O-N 3.09Å; N238-Y240 PolarHBondContact O-N 3.45Å; N238-K241 WeakPolarHBondContact O-CB 3.39Å; N238-K241 PolarHBondContact O-N 2.93Å
239Q91Very high82.3Confident131 Ų13190.5 Ų90.561%0.61242%0.422SS*.Hα-helixtrans-67.4-26.8175.7-63.7-179.5-9.700112Y236 F237Y236-Q239 WeakPolarHBondContact O-CB 3.37Å; Y236-Q239 PolarHBondContact O-N 3.37Å; F237-Q239 PolarHBondContact O-N 2.69Å
240Y90.7Very high80.1Confident47 Ų4794.4 Ų94.418%0.18445%0.449CS..Hα-helixtrans-79.8-20-179.4-61.9-83.9000112.8T191 L195 M233 Y236 F237 N238 H242 K243T191-Y240 HydrophobicContact CG2-CD1 3.59Å; T191-Y240 HydrophobicContact CG2-CE1 3.97Å; T191-Y240 HydrophobicContact CG2-CG 4.31Å; L195-Y240 HydrophobicContact CD1-CD1 4.4Å; L195-Y240 HydrophobicContact CD1-CD2 3.56Å; L195-Y240 HydrophobicContact CD1-CE2 3.95Å; L195-Y240 HydrophobicContact CD1-CG 3.82Å; M233-Y240 HydrophobicContact CB-CE2 4.15Å; M233-Y240 HydrophobicContact CE-CD1 4.47Å; M233-Y240 HydrophobicContact CE-CE1 3.67Å; M233-Y240 HydrophobicContact CE-CE2 4.48Å; M233-Y240 WeakPolarHBondContact O-CE2 3.34Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.4Å; F237-Y240 PolarHBondContact O-N 3.28Å; F237-Y240 VanDerWaalsContact O-N 3.08Å; N238-Y240 PolarHBondContact O-N 3.45Å; Y240-H242 PolarHBondContact O-N 3.01Å; Y240-H242 VanDerWaalsContact O-N 3.17Å; Y240-K243 HydrophobicContact CD1-CD 4.17Å; Y240-K243 PolarHBondContact O-N 2.99Å
241K87.1Confident79.2Confident120 Ų12099.2 Ų99.252%0.52247%0.471SS..THydrogen-bonded Turntrans-57.6-33.7-178.5-170.3177.1-178.7-179.50113.1Y192 N238Y192-K241 VanDerWaalsContact CD2-CA 3.46Å; Y192-K241 HydrophobicContact CD2-CB 3.82Å; Y192-K241 HydrophobicContact CD2-CG 4.41Å; Y192-K241 HydrophobicContact CE1-CG 4.32Å; Y192-K241 HydrophobicContact CE2-CB 3.64Å; Y192-K241 HydrophobicContact CE2-CD 4.49Å; Y192-K241 HydrophobicContact CE2-CG 3.98Å; Y192-K241 HydrophobicContact CG-CB 4.44Å; N238-K241 WeakPolarHBondContact O-CB 3.39Å; N238-K241 PolarHBondContact O-N 2.93Å
242H77.9Confident78.3Confident152 Ų152101.6 Ų101.670%0.70448%0.484SS*.THydrogen-bonded Turntrans-115.69.5-177.5-58-61000112.8Y240 K244Y240-H242 PolarHBondContact O-N 3.01Å; Y240-H242 VanDerWaalsContact O-N 3.17Å; H242-K244 PolarHBondContact O-N 2.97Å
243K74.6Confident77.2Confident113 Ų113101.1 Ų101.149%0.49148%0.484SS..  trans-63.8112.6177.7-170.7177.7-179.5-172.10107.7Y240Y240-K243 HydrophobicContact CD1-CD 4.17Å; Y240-K243 PolarHBondContact O-N 2.99Å
244K65.1Low76Confident178 Ų178106.1 Ų106.177%0.77451%0.507SS*.  trans-67.8140.8175.2-73.8-172.5178.2-177.60108.7H242 E246H242-K244 PolarHBondContact O-N 2.97Å; K244-E246 PolarHBondContact O-N 3.27Å
245P62.6Low74.8Confident53 Ų53112 Ų11234%0.34454%0.536SS..  trans-44.2126.7164.2-32.239000110.6D189 T247D189-P245 HydrophobicContact CB-CG 4.14Å; D189-P245 WeakPolarHBondContact OD1-CB 3.23Å; P245-T247 HydrophobicContact CB-CG2 3.8Å; P245-T247 WeakPolarHBondContact CB-OG1 3.09Å; P245-T247 PolarHBondContact O-N 2.72Å
246E59.8Low73.4Confident117 Ų117110.9 Ų110.955%0.54753%0.527SS..  trans-79.448.4166.7-74.9-179.9-158.100109.2K244 R248K244-E246 PolarHBondContact O-N 3.27Å; E246-R248 PolarHBondContact O-N 3.37Å
247T53.1Low72.1Confident69 Ų69109.2 Ų109.242%0.42353%0.527SS..  trans-82.688.5-177.743.20000110K121 P245K121-T247 VanDerWaalsContact CE-CG2 3.48Å; P245-T247 HydrophobicContact CB-CG2 3.8Å; P245-T247 WeakPolarHBondContact CB-OG1 3.09Å; P245-T247 PolarHBondContact O-N 2.72Å
248R53.9Low70.5Confident188 Ų188115.9 Ų115.971%0.70956%0.56SS**  trans-89.9129.5154.3-64.8-178.1179.8178.20.5107.2Y135 E246Y135-R248 WeakPolarHBondContact CB-O 3.41Å; Y135-R248 HydrophobicContact CD1-CB 4.06Å; Y135-R248 HydrophobicContact CG-CB 4.3Å; Y135-R248 PolarHBondContact N-O 2.72Å; E246-R248 PolarHBondContact O-N 3.37Å
249T56.8Low68.8Low88 Ų88115.5 Ų115.554%0.5455%0.553SS.*BIsolated β-bridgetrans-98.4144.8164.450.30000107.7
250V52.4Low66.7Low130 Ų130114.1 Ų114.179%0.78855%0.548SS*.  trans-73.20171.3-167.60000110.1Y135Y135-V250 HydrophobicContact CD2-CG2 3.93Å; Y135-V250 HydrophobicContact CG-CG2 4.42Å

Retrieved 250 of 250 residues in 128.4 ms (Link to these results)

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